3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole

C203H346ClFN50 — CID 158979171

IUPAC3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
SMILESCC(C)C1=CN=CC1.CC(C)c1cncn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)n1ccc(Cl)n1.CC(C)n1ccc(F)n1.CC(C)n1ccnc1.CC1=C(C(C)C)CC=N1.CC1=NC(C)=C(C(C)C)C1.CC1=NC=C(C(C)C)C1.Cc1cc(C)n(C(C)C)n1.Cc1ccn(C(C)C)n1.Cc1ccn(C(C)C)n1.Cc1ccnn1C(C)C.Cc1cn(C(C)C)nc1C.Cc1cn(C)c(C(C)C)n1.Cc1cnc(C(C)C)[nH]1.Cc1cnc(C(C)C)[nH]1.Cc1cnc(C(C)C)n1C.Cc1cnn(C(C)C)c1.Cc1cnn(C(C)C)c1C.Cc1nc(C(C)C)[nH]c1C.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C)n(C)c1C(C)C.Cc1ncc(C(C)C)n1C.Cc1ncn(C)c1C(C)C.Cc1nn(C(C)C)c(C)c1C
InChIInChI=1S/3C9H16N2.C9H15N.8C8H14N2.2C8H13N.8C7H12N2.C7H11N.C6H9ClN2.C6H9FN2.2C6H10N2/c1-6(2)9-7(3)10-8(4)11(9)5;1-6(2)9-10-7(3)8(4)11(9)5;1-6(2)11-9(5)7(3)8(4)10-11;1-6(2)9-5-7(3)10-8(9)4;1-6(2)8-7(3)9-5-10(8)4;1-6(2)8-5-9-7(3)10(8)4;1-6(2)8-9-7(3)5-10(8)4;1-6(2)8-9-5-7(3)10(8)4;1-6(2)10-5-7(3)8(4)9-10;1-6(2)10-8(4)7(3)5-9-10;1-6(2)10-8(4)5-7(3)9-10;1-5(2)8-9-6(3)7(4)10-8;1-6(2)8-4-7(3)9-5-8;1-6(2)8-4-5-9-7(8)3;1-6(2)7-4-8-5-9(7)3;1-6(2)9-5-7(3)4-8-9;1-6(2)7-8-4-5-9(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)7-8-4-6(3)9-7;1-6(2)7-3-4-8-5-7;2*1-5(2)9-4-3-6(7)8-9;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6/h3*6H,1-5H3;6H,5H2,1-4H3;7*5-6H,1-4H3;5H,1-4H3,(H,9,10);2*5-6H,4H2,1-3H3;6*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);4-6H,3H2,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyJOTTUYXLNXCGCX-UHFFFAOYSA-N
MW3541.80 g/mol
LogP52.65
Rot. Bonds27

About 3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole

3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole (PubChem CID 158979171) has the molecular formula C203H346ClFN50 and a molecular weight of 3541.80 g/mol. Its IUPAC name is 3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
PubChem CID158979171
Molecular FormulaC203H346ClFN50
Molecular Weight3541.80 g/mol
Exact Mass3538.83
IUPAC Name3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
SMILESCC(C)C1=CN=CC1.CC(C)c1cncn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)n1ccc(Cl)n1.CC(C)n1ccc(F)n1.CC(C)n1ccnc1.CC1=C(C(C)C)CC=N1.CC1=NC(C)=C(C(C)C)C1.CC1=NC=C(C(C)C)C1.Cc1cc(C)n(C(C)C)n1.Cc1ccn(C(C)C)n1.Cc1ccn(C(C)C)n1.Cc1ccnn1C(C)C.Cc1cn(C(C)C)nc1C.Cc1cn(C)c(C(C)C)n1.Cc1cnc(C(C)C)[nH]1.Cc1cnc(C(C)C)[nH]1.Cc1cnc(C(C)C)n1C.Cc1cnn(C(C)C)c1.Cc1cnn(C(C)C)c1C.Cc1nc(C(C)C)[nH]c1C.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C)n(C)c1C(C)C.Cc1ncc(C(C)C)n1C.Cc1ncn(C)c1C(C)C.Cc1nn(C(C)C)c(C)c1C
InChIInChI=1S/3C9H16N2.C9H15N.8C8H14N2.2C8H13N.8C7H12N2.C7H11N.C6H9ClN2.C6H9FN2.2C6H10N2/c1-6(2)9-7(3)10-8(4)11(9)5;1-6(2)9-10-7(3)8(4)11(9)5;1-6(2)11-9(5)7(3)8(4)10-11;1-6(2)9-5-7(3)10-8(9)4;1-6(2)8-7(3)9-5-10(8)4;1-6(2)8-5-9-7(3)10(8)4;1-6(2)8-9-7(3)5-10(8)4;1-6(2)8-9-5-7(3)10(8)4;1-6(2)10-5-7(3)8(4)9-10;1-6(2)10-8(4)7(3)5-9-10;1-6(2)10-8(4)5-7(3)9-10;1-5(2)8-9-6(3)7(4)10-8;1-6(2)8-4-7(3)9-5-8;1-6(2)8-4-5-9-7(8)3;1-6(2)7-4-8-5-9(7)3;1-6(2)9-5-7(3)4-8-9;1-6(2)7-8-4-5-9(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)7-8-4-6(3)9-7;1-6(2)7-3-4-8-5-7;2*1-5(2)9-4-3-6(7)8-9;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6/h3*6H,1-5H3;6H,5H2,1-4H3;7*5-6H,1-4H3;5H,1-4H3,(H,9,10);2*5-6H,4H2,1-3H3;6*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);4-6H,3H2,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyJOTTUYXLNXCGCX-UHFFFAOYSA-N
XLogP52.65
TPSA502.74 Ų
H-Bond Donors4
H-Bond Acceptors46
Rotatable Bonds27
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003541.80
LogP ≤ 552.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1046

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The IUPAC name of 3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole (CID 158979171) is 3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The canonical SMILES for 3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole is CC(C)C1=CN=CC1.CC(C)c1cncn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)n1ccc(Cl)n1.CC(C)n1ccc(F)n1.CC(C)n1ccnc1.CC1=C(C(C)C)CC=N1.CC1=NC(C)=C(C(C)C)C1.CC1=NC=C(C(C)C)C1.Cc1cc(C)n(C(C)C)n1.Cc1ccn(C(C)C)n1.Cc1ccn(C(C)C)n1.Cc1ccnn1C(C)C.Cc1cn(C(C)C)nc1C.Cc1cn(C)c(C(C)C)n1.Cc1cnc(C(C)C)[nH]1.Cc1cnc(C(C)C)[nH]1.Cc1cnc(C(C)C)n1C.Cc1cnn(C(C)C)c1.Cc1cnn(C(C)C)c1C.Cc1nc(C(C)C)[nH]c1C.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C)n(C)c1C(C)C.Cc1ncc(C(C)C)n1C.Cc1ncn(C)c1C(C)C.Cc1nn(C(C)C)c(C)c1C.
What is the InChIKey of 3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The InChIKey is JOTTUYXLNXCGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H16N2.C9H15N.8C8H14N2.2C8H13N.8C7H12N2.C7H11N.C6H9ClN2.C6H9FN2.2C6H10N2/c1-6(2)9-7(3)10-8(4)11(9)5;1-6(2)9-10-7(3)8(4)11(9)5;1-6(2)11-9(5)7(3)8(4)10-11;1-6(2)9-5-7(3)10-8(9)4;1-6(2)8-7(3)9-5-10(8)4;1-6(2)8-5-9-7(3)10(8)4;1-6(2)8-9-7(3)5-10(8)4;1-6(2)8-9-5-7(3)10(8)4;1-6(2)10-5-7(3)8(4)9-10;1-6(2)10-8(4)7(3)5-9-10;1-6(2)10-8(4)5-7(3)9-10;1-5(2)8-9-6(3)7(4)10-8;1-6(2)8-4-7(3)9-5-8;1-6(2)8-4-5-9-7(8)3;1-6(2)7-4-8-5-9(7)3;1-6(2)9-5-7(3)4-8-9;1-6(2)7-8-4-5-9(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)7-8-4-6(3)9-7;1-6(2)7-3-4-8-5-7;2*1-5(2)9-4-3-6(7)8-9;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6/h3*6H,1-5H3;6H,5H2,1-4H3;7*5-6H,1-4H3;5H,1-4H3,(H,9,10);2*5-6H,4H2,1-3H3;6*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);4-6H,3H2,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?
3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole has a molecular weight of 3541.80 g/mol, XLogP of 52.65, 27 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-2-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;3-fluoro-1-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-1H-imidazole);bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-3H-pyrrole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;3,4,5-trimethyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 158979171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).