3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole

C231H390ClFN56O2 — CID 165048487

IUPAC3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
SMILESCC(C)C1=CC=NC1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)n1ccc(Cl)n1.CC(C)n1ccc(F)n1.CC(C)n1cccn1.CC1=C(C(C)C)CN=C1.CC1=NCC(C(C)C)=C1.CC1=NCC(C(C)C)=C1C.CCn1ccc(C(C)C)n1.Cc1[nH]nc(C(C)C)c1C.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1c(C(C)C)nn(C)c1C.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)nn1C.Cc1ccn(C(C)C)n1.Cc1ccn(C(C)C)n1.Cc1ccnn1C(C)C.Cc1cn(C)nc1C(C)C.Cc1cnn(C(C)C)c1.Cc1cnn(C)c1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nn(C)c(C(C)C)c1C.Cc1nn(C)c(C)c1C(C)C.Cc1oncc1C(C)C
InChIInChI=1S/C9H14N2.3C9H16N2.C9H15N.8C8H14N2.2C8H13N.8C7H12N2.C7H11NO.C7H11N.C6H9ClN2.C6H9FN2.3C6H10N2.C6H9NO/c1-7(2)9-5-6-11(10-9)8-3-4-8;1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)9-7(3)8(4)11(5)10-9;1-6(2)9-7(3)8(4)10-11(9)5;1-6(2)9-5-10-8(4)7(9)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-7(3)5-10(4)9-8;1-6(2)8-7(3)5-9-10(8)4;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-7(3)9-10(8)4;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)7(4)9-10-8;1-4-10-6-5-8(9-10)7(2)3;1-6(2)8-5-9-4-7(8)3;1-6(2)8-4-7(3)9-5-8;1-6(2)7-4-8-9(3)5-7;1-6(2)9-5-7(3)4-8-9;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;2*1-6(2)9-5-4-7(3)8-9;1-6(2)9-7(3)4-5-8-9;2*1-5(2)7-4-8-9-6(7)3;1-6(2)7-3-4-8-5-7;2*1-5(2)9-4-3-6(7)8-9;1-5(2)6-3-7-8-4-6;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6/h5-8H,3-4H2,1-2H3;3*6H,1-5H3;6H,5H2,1-4H3;5*5-6H,1-4H3;2*5H,1-4H3,(H,9,10);5-7H,4H2,1-3H3;2*4,6H,5H2,1-3H3;7*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-4,6H,5H2,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3
InChIKeyPGZBFRRXBJNMDP-UHFFFAOYSA-N
MW4038.50 g/mol
LogP58.30
Rot. Bonds33

About 3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole

3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole (PubChem CID 165048487) has the molecular formula C231H390ClFN56O2 and a molecular weight of 4038.50 g/mol. Its IUPAC name is 3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
PubChem CID165048487
Molecular FormulaC231H390ClFN56O2
Molecular Weight4038.50 g/mol
Exact Mass4035.18
IUPAC Name3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
SMILESCC(C)C1=CC=NC1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)n1ccc(Cl)n1.CC(C)n1ccc(F)n1.CC(C)n1cccn1.CC1=C(C(C)C)CN=C1.CC1=NCC(C(C)C)=C1.CC1=NCC(C(C)C)=C1C.CCn1ccc(C(C)C)n1.Cc1[nH]nc(C(C)C)c1C.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1c(C(C)C)nn(C)c1C.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)nn1C.Cc1ccn(C(C)C)n1.Cc1ccn(C(C)C)n1.Cc1ccnn1C(C)C.Cc1cn(C)nc1C(C)C.Cc1cnn(C(C)C)c1.Cc1cnn(C)c1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nn(C)c(C(C)C)c1C.Cc1nn(C)c(C)c1C(C)C.Cc1oncc1C(C)C
InChIInChI=1S/C9H14N2.3C9H16N2.C9H15N.8C8H14N2.2C8H13N.8C7H12N2.C7H11NO.C7H11N.C6H9ClN2.C6H9FN2.3C6H10N2.C6H9NO/c1-7(2)9-5-6-11(10-9)8-3-4-8;1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)9-7(3)8(4)11(5)10-9;1-6(2)9-7(3)8(4)10-11(9)5;1-6(2)9-5-10-8(4)7(9)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-7(3)5-10(4)9-8;1-6(2)8-7(3)5-9-10(8)4;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-7(3)9-10(8)4;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)7(4)9-10-8;1-4-10-6-5-8(9-10)7(2)3;1-6(2)8-5-9-4-7(8)3;1-6(2)8-4-7(3)9-5-8;1-6(2)7-4-8-9(3)5-7;1-6(2)9-5-7(3)4-8-9;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;2*1-6(2)9-5-4-7(3)8-9;1-6(2)9-7(3)4-5-8-9;2*1-5(2)7-4-8-9-6(7)3;1-6(2)7-3-4-8-5-7;2*1-5(2)9-4-3-6(7)8-9;1-5(2)6-3-7-8-4-6;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6/h5-8H,3-4H2,1-2H3;3*6H,1-5H3;6H,5H2,1-4H3;5*5-6H,1-4H3;2*5H,1-4H3,(H,9,10);5-7H,4H2,1-3H3;2*4,6H,5H2,1-3H3;7*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-4,6H,5H2,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3
InChIKeyPGZBFRRXBJNMDP-UHFFFAOYSA-N
XLogP58.30
TPSA601.30 Ų
H-Bond Donors5
H-Bond Acceptors53
Rotatable Bonds33
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004038.50
LogP ≤ 558.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1053

Analyze 3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole?
The IUPAC name of 3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole (CID 165048487) is 3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole.
What is the SMILES notation for 3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole?
The canonical SMILES for 3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole is CC(C)C1=CC=NC1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)n1ccc(Cl)n1.CC(C)n1ccc(F)n1.CC(C)n1cccn1.CC1=C(C(C)C)CN=C1.CC1=NCC(C(C)C)=C1.CC1=NCC(C(C)C)=C1C.CCn1ccc(C(C)C)n1.Cc1[nH]nc(C(C)C)c1C.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1c(C(C)C)nn(C)c1C.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)nn1C.Cc1ccn(C(C)C)n1.Cc1ccn(C(C)C)n1.Cc1ccnn1C(C)C.Cc1cn(C)nc1C(C)C.Cc1cnn(C(C)C)c1.Cc1cnn(C)c1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nn(C)c(C(C)C)c1C.Cc1nn(C)c(C)c1C(C)C.Cc1oncc1C(C)C.
What is the InChIKey of 3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole?
The InChIKey is PGZBFRRXBJNMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.3C9H16N2.C9H15N.8C8H14N2.2C8H13N.8C7H12N2.C7H11NO.C7H11N.C6H9ClN2.C6H9FN2.3C6H10N2.C6H9NO/c1-7(2)9-5-6-11(10-9)8-3-4-8;1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)9-7(3)8(4)11(5)10-9;1-6(2)9-7(3)8(4)10-11(9)5;1-6(2)9-5-10-8(4)7(9)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-7(3)5-10(4)9-8;1-6(2)8-7(3)5-9-10(8)4;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-7(3)9-10(8)4;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)7(4)9-10-8;1-4-10-6-5-8(9-10)7(2)3;1-6(2)8-5-9-4-7(8)3;1-6(2)8-4-7(3)9-5-8;1-6(2)7-4-8-9(3)5-7;1-6(2)9-5-7(3)4-8-9;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;2*1-6(2)9-5-4-7(3)8-9;1-6(2)9-7(3)4-5-8-9;2*1-5(2)7-4-8-9-6(7)3;1-6(2)7-3-4-8-5-7;2*1-5(2)9-4-3-6(7)8-9;1-5(2)6-3-7-8-4-6;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6/h5-8H,3-4H2,1-2H3;3*6H,1-5H3;6H,5H2,1-4H3;5*5-6H,1-4H3;2*5H,1-4H3,(H,9,10);5-7H,4H2,1-3H3;2*4,6H,5H2,1-3H3;7*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-4,6H,5H2,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3.
What are the key properties of 3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole?
3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole has a molecular weight of 4038.50 g/mol, XLogP of 58.30, 33 rotatable bonds, 5 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-propan-2-ylpyrazole;1-cyclopropyl-3-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;3-fluoro-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole is sourced from PubChem (CID 165048487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).