4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole

C200H317N53O2S2 — CID 159743293

IUPAC4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole
SMILESCC(C)C1=NN(C)C(c2ccccc2)C1.CC1=NN(C)CC1.CC1=NN(C)CC1(C)C.CC1C=NN(C)C1.CC1C=NN(C)C1c1ccccc1.CCC1(CC)C=NN(C)C1.CCC1=NN(C)CC1.CCC1C(C)C=NN1C.CCC1C=NN(C)C1.CCC1C=NN(C)C1C.CCC1C=NN(C)C1c1ccccc1.CCC1CC=NN1C.CCC1CN(C)N=C1C.CN1CC(C)(C)C=N1.CN1CC2(C=N1)CCCC2.CN1CC2(C=N1)CCCCC2.CN1CC2CCCCC2=N1.CN1N=CCC1c1ccccc1.CN1N=CCC1c1ccccn1.CN1N=CCC1c1cccnc1.CN1N=CCC1c1ccco1.CN1N=CCC1c1cccs1.CN1N=CCC1c1ccncc1.CN1N=CCC1c1ccoc1.CN1N=CCC1c1ccsc1
InChIInChI=1S/C13H18N2.C12H16N2.C11H14N2.C10H12N2.3C9H11N3.C9H16N2.2C8H10N2O.2C8H10N2S.2C8H14N2.C8H16N2.4C7H14N2.4C6H12N2.2C5H10N2/c1-10(2)12-9-13(15(3)14-12)11-7-5-4-6-8-11;1-3-10-9-13-14(2)12(10)11-7-5-4-6-8-11;1-9-8-12-13(2)11(9)10-6-4-3-5-7-10;1-12-10(7-8-11-12)9-5-3-2-4-6-9;1-12-9(4-7-11-12)8-2-5-10-6-3-8;1-12-9(4-6-11-12)8-3-2-5-10-7-8;1-12-9(5-7-11-12)8-4-2-3-6-10-8;1-11-8-9(7-10-11)5-3-2-4-6-9;1-10-8(2-4-9-10)7-3-5-11-6-7;1-10-7(4-5-9-10)8-3-2-6-11-8;1-10-8(2-4-9-10)7-3-5-11-6-7;1-10-7(4-5-9-10)8-3-2-6-11-8;1-10-7-8(6-9-10)4-2-3-5-8;1-10-6-7-4-2-3-5-8(7)9-10;1-4-8(5-2)6-9-10(3)7-8;1-6-7(2,3)5-9(4)8-6;1-4-7-5-9(3)8-6(7)2;1-4-7-5-8-9(3)6(7)2;1-4-7-6(2)5-8-9(7)3;1-6(2)4-7-8(3)5-6;1-3-6-4-7-8(2)5-6;1-3-6-4-5-8(2)7-6;1-3-6-4-5-7-8(6)2;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5/h4-8,10,13H,9H2,1-3H3;4-10,12H,3H2,1-2H3;3-9,11H,1-2H3;2-6,8,10H,7H2,1H3;2*2-3,5-7,9H,4H2,1H3;2-4,6-7,9H,5H2,1H3;7H,2-6,8H2,1H3;3-6,8H,2H2,1H3;2-3,5-7H,4H2,1H3;3-6,8H,2H2,1H3;2-3,5-7H,4H2,1H3;6H,2-5,7H2,1H3;7H,2-6H2,1H3;6H,4-5,7H2,1-3H3;5H2,1-4H3;7H,4-5H2,1-3H3;2*5-7H,4H2,1-3H3;4H,5H2,1-3H3;4,6H,3,5H2,1-2H3;3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3,5H,4H2,1-2H3;3-4H2,1-2H3
InChIKeyNCSQADRBNYRSHO-UHFFFAOYSA-N
MW3560.24 g/mol
LogP39.14
Rot. Bonds21

About 4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole

4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole (PubChem CID 159743293) has the molecular formula C200H317N53O2S2 and a molecular weight of 3560.24 g/mol. Its IUPAC name is 4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole.

Molecular Properties

Compound Name4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole
PubChem CID159743293
Molecular FormulaC200H317N53O2S2
Molecular Weight3560.24 g/mol
Exact Mass3557.58
IUPAC Name4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole
SMILESCC(C)C1=NN(C)C(c2ccccc2)C1.CC1=NN(C)CC1.CC1=NN(C)CC1(C)C.CC1C=NN(C)C1.CC1C=NN(C)C1c1ccccc1.CCC1(CC)C=NN(C)C1.CCC1=NN(C)CC1.CCC1C(C)C=NN1C.CCC1C=NN(C)C1.CCC1C=NN(C)C1C.CCC1C=NN(C)C1c1ccccc1.CCC1CC=NN1C.CCC1CN(C)N=C1C.CN1CC(C)(C)C=N1.CN1CC2(C=N1)CCCC2.CN1CC2(C=N1)CCCCC2.CN1CC2CCCCC2=N1.CN1N=CCC1c1ccccc1.CN1N=CCC1c1ccccn1.CN1N=CCC1c1cccnc1.CN1N=CCC1c1ccco1.CN1N=CCC1c1cccs1.CN1N=CCC1c1ccncc1.CN1N=CCC1c1ccoc1.CN1N=CCC1c1ccsc1
InChIInChI=1S/C13H18N2.C12H16N2.C11H14N2.C10H12N2.3C9H11N3.C9H16N2.2C8H10N2O.2C8H10N2S.2C8H14N2.C8H16N2.4C7H14N2.4C6H12N2.2C5H10N2/c1-10(2)12-9-13(15(3)14-12)11-7-5-4-6-8-11;1-3-10-9-13-14(2)12(10)11-7-5-4-6-8-11;1-9-8-12-13(2)11(9)10-6-4-3-5-7-10;1-12-10(7-8-11-12)9-5-3-2-4-6-9;1-12-9(4-7-11-12)8-2-5-10-6-3-8;1-12-9(4-6-11-12)8-3-2-5-10-7-8;1-12-9(5-7-11-12)8-4-2-3-6-10-8;1-11-8-9(7-10-11)5-3-2-4-6-9;1-10-8(2-4-9-10)7-3-5-11-6-7;1-10-7(4-5-9-10)8-3-2-6-11-8;1-10-8(2-4-9-10)7-3-5-11-6-7;1-10-7(4-5-9-10)8-3-2-6-11-8;1-10-7-8(6-9-10)4-2-3-5-8;1-10-6-7-4-2-3-5-8(7)9-10;1-4-8(5-2)6-9-10(3)7-8;1-6-7(2,3)5-9(4)8-6;1-4-7-5-9(3)8-6(7)2;1-4-7-5-8-9(3)6(7)2;1-4-7-6(2)5-8-9(7)3;1-6(2)4-7-8(3)5-6;1-3-6-4-7-8(2)5-6;1-3-6-4-5-8(2)7-6;1-3-6-4-5-7-8(6)2;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5/h4-8,10,13H,9H2,1-3H3;4-10,12H,3H2,1-2H3;3-9,11H,1-2H3;2-6,8,10H,7H2,1H3;2*2-3,5-7,9H,4H2,1H3;2-4,6-7,9H,5H2,1H3;7H,2-6,8H2,1H3;3-6,8H,2H2,1H3;2-3,5-7H,4H2,1H3;3-6,8H,2H2,1H3;2-3,5-7H,4H2,1H3;6H,2-5,7H2,1H3;7H,2-6H2,1H3;6H,4-5,7H2,1-3H3;5H2,1-4H3;7H,4-5H2,1-3H3;2*5-7H,4H2,1-3H3;4H,5H2,1-3H3;4,6H,3,5H2,1-2H3;3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3,5H,4H2,1-2H3;3-4H2,1-2H3
InChIKeyNCSQADRBNYRSHO-UHFFFAOYSA-N
XLogP39.14
TPSA454.95 Ų
H-Bond Donors
H-Bond Acceptors57
Rotatable Bonds21
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003560.24
LogP ≤ 539.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1057

Analyze 4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole?
The IUPAC name of 4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole (CID 159743293) is 4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole.
What is the SMILES notation for 4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole?
The canonical SMILES for 4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole is CC(C)C1=NN(C)C(c2ccccc2)C1.CC1=NN(C)CC1.CC1=NN(C)CC1(C)C.CC1C=NN(C)C1.CC1C=NN(C)C1c1ccccc1.CCC1(CC)C=NN(C)C1.CCC1=NN(C)CC1.CCC1C(C)C=NN1C.CCC1C=NN(C)C1.CCC1C=NN(C)C1C.CCC1C=NN(C)C1c1ccccc1.CCC1CC=NN1C.CCC1CN(C)N=C1C.CN1CC(C)(C)C=N1.CN1CC2(C=N1)CCCC2.CN1CC2(C=N1)CCCCC2.CN1CC2CCCCC2=N1.CN1N=CCC1c1ccccc1.CN1N=CCC1c1ccccn1.CN1N=CCC1c1cccnc1.CN1N=CCC1c1ccco1.CN1N=CCC1c1cccs1.CN1N=CCC1c1ccncc1.CN1N=CCC1c1ccoc1.CN1N=CCC1c1ccsc1.
What is the InChIKey of 4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole?
The InChIKey is NCSQADRBNYRSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C12H16N2.C11H14N2.C10H12N2.3C9H11N3.C9H16N2.2C8H10N2O.2C8H10N2S.2C8H14N2.C8H16N2.4C7H14N2.4C6H12N2.2C5H10N2/c1-10(2)12-9-13(15(3)14-12)11-7-5-4-6-8-11;1-3-10-9-13-14(2)12(10)11-7-5-4-6-8-11;1-9-8-12-13(2)11(9)10-6-4-3-5-7-10;1-12-10(7-8-11-12)9-5-3-2-4-6-9;1-12-9(4-7-11-12)8-2-5-10-6-3-8;1-12-9(4-6-11-12)8-3-2-5-10-7-8;1-12-9(5-7-11-12)8-4-2-3-6-10-8;1-11-8-9(7-10-11)5-3-2-4-6-9;1-10-8(2-4-9-10)7-3-5-11-6-7;1-10-7(4-5-9-10)8-3-2-6-11-8;1-10-8(2-4-9-10)7-3-5-11-6-7;1-10-7(4-5-9-10)8-3-2-6-11-8;1-10-7-8(6-9-10)4-2-3-5-8;1-10-6-7-4-2-3-5-8(7)9-10;1-4-8(5-2)6-9-10(3)7-8;1-6-7(2,3)5-9(4)8-6;1-4-7-5-9(3)8-6(7)2;1-4-7-5-8-9(3)6(7)2;1-4-7-6(2)5-8-9(7)3;1-6(2)4-7-8(3)5-6;1-3-6-4-7-8(2)5-6;1-3-6-4-5-8(2)7-6;1-3-6-4-5-7-8(6)2;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5/h4-8,10,13H,9H2,1-3H3;4-10,12H,3H2,1-2H3;3-9,11H,1-2H3;2-6,8,10H,7H2,1H3;2*2-3,5-7,9H,4H2,1H3;2-4,6-7,9H,5H2,1H3;7H,2-6,8H2,1H3;3-6,8H,2H2,1H3;2-3,5-7H,4H2,1H3;3-6,8H,2H2,1H3;2-3,5-7H,4H2,1H3;6H,2-5,7H2,1H3;7H,2-6H2,1H3;6H,4-5,7H2,1-3H3;5H2,1-4H3;7H,4-5H2,1-3H3;2*5-7H,4H2,1-3H3;4H,5H2,1-3H3;4,6H,3,5H2,1-2H3;3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3,5H,4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole?
4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole has a molecular weight of 3560.24 g/mol, XLogP of 39.14, 21 rotatable bonds, 0 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-2-methyl-3H-pyrazole;2,4-dimethyl-3,4-dihydropyrazole;2,5-dimethyl-3,4-dihydropyrazole;2,4-dimethyl-3-phenyl-3,4-dihydropyrazole;3-ethyl-2,4-dimethyl-3,4-dihydropyrazole;4-ethyl-2,3-dimethyl-3,4-dihydropyrazole;4-ethyl-2,5-dimethyl-3,4-dihydropyrazole;3-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3,4-dihydropyrazole;5-ethyl-2-methyl-3,4-dihydropyrazole;4-ethyl-2-methyl-3-phenyl-3,4-dihydropyrazole;3-(furan-2-yl)-2-methyl-3,4-dihydropyrazole;3-(furan-3-yl)-2-methyl-3,4-dihydropyrazole;2-methyl-3,3a,4,5,6,7-hexahydroindazole;2-methyl-2,3-diazaspiro[4.5]dec-3-ene;2-methyl-2,3-diazaspiro[4.4]non-3-ene;2-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;4-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine;2-methyl-3-phenyl-3,4-dihydropyrazole;2-methyl-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole;2-methyl-3-thiophen-3-yl-3,4-dihydropyrazole;2,4,4,5-tetramethyl-3H-pyrazole;2,4,4-trimethyl-3H-pyrazole is sourced from PubChem (CID 159743293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).