1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole

C124H138Cl7FN18S — CID 160683804

IUPAC1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole
SMILESCC(C)c1cc(-c2ccc(Cl)cc2)n[nH]1.CC(C)c1cc(-c2ccc(F)cc2)n[nH]1.CC(C)c1ccn(-c2ccc(Cl)c(Cl)c2)n1.CC(C)c1ccn(-c2ccc(Cl)cc2)n1.CC(C)c1ccn(-c2cccc(Cl)c2)n1.CC(C)c1ccn(-c2ccccc2)n1.CC(C)c1ccn(-c2ccccc2Cl)n1.CC(C)c1ccn(Cc2ccc(Cl)cc2)n1.Cc1ccc(-c2csc(C(C)C)n2)cc1.Cc1ccc(-n2cccc2C(C)C)cc1
InChIInChI=1S/C14H17N.C13H15ClN2.C13H15NS.C12H12Cl2N2.4C12H13ClN2.C12H13FN2.C12H14N2/c1-11(2)14-5-4-10-15(14)13-8-6-12(3)7-9-13;1-10(2)13-7-8-16(15-13)9-11-3-5-12(14)6-4-11;1-9(2)13-14-12(8-15-13)11-6-4-10(3)5-7-11;1-8(2)12-5-6-16(15-12)9-3-4-10(13)11(14)7-9;1-9(2)12-7-8-15(14-12)11-5-3-10(13)4-6-11;1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-9(2)12-6-7-15(14-12)11-5-3-4-10(13)8-11;1-9(2)11-7-8-15(14-11)12-6-4-3-5-10(12)13;1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-10(2)12-8-9-14(13-12)11-6-4-3-5-7-11/h4-11H,1-3H3;3-8,10H,9H2,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,14,15);2*3-9H,1-2H3;3-8H,1-2H3,(H,14,15);3-10H,1-2H3
InChIKeyROMLYGFWZOVLJX-UHFFFAOYSA-N
MW2179.83 g/mol
LogP37.30
Rot. Bonds21

About 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole

1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole (PubChem CID 160683804) has the molecular formula C124H138Cl7FN18S and a molecular weight of 2179.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole
PubChem CID160683804
Molecular FormulaC124H138Cl7FN18S
Molecular Weight2179.83 g/mol
Exact Mass2174.89
IUPAC Name1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole
SMILESCC(C)c1cc(-c2ccc(Cl)cc2)n[nH]1.CC(C)c1cc(-c2ccc(F)cc2)n[nH]1.CC(C)c1ccn(-c2ccc(Cl)c(Cl)c2)n1.CC(C)c1ccn(-c2ccc(Cl)cc2)n1.CC(C)c1ccn(-c2cccc(Cl)c2)n1.CC(C)c1ccn(-c2ccccc2)n1.CC(C)c1ccn(-c2ccccc2Cl)n1.CC(C)c1ccn(Cc2ccc(Cl)cc2)n1.Cc1ccc(-c2csc(C(C)C)n2)cc1.Cc1ccc(-n2cccc2C(C)C)cc1
InChIInChI=1S/C14H17N.C13H15ClN2.C13H15NS.C12H12Cl2N2.4C12H13ClN2.C12H13FN2.C12H14N2/c1-11(2)14-5-4-10-15(14)13-8-6-12(3)7-9-13;1-10(2)13-7-8-16(15-13)9-11-3-5-12(14)6-4-11;1-9(2)13-14-12(8-15-13)11-6-4-10(3)5-7-11;1-8(2)12-5-6-16(15-12)9-3-4-10(13)11(14)7-9;1-9(2)12-7-8-15(14-12)11-5-3-10(13)4-6-11;1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-9(2)12-6-7-15(14-12)11-5-3-4-10(13)8-11;1-9(2)11-7-8-15(14-11)12-6-4-3-5-10(12)13;1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-10(2)12-8-9-14(13-12)11-6-4-3-5-7-11/h4-11H,1-3H3;3-8,10H,9H2,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,14,15);2*3-9H,1-2H3;3-8H,1-2H3,(H,14,15);3-10H,1-2H3
InChIKeyROMLYGFWZOVLJX-UHFFFAOYSA-N
XLogP37.30
TPSA182.10 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002179.83
LogP ≤ 537.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole (CID 160683804) is 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole is CC(C)c1cc(-c2ccc(Cl)cc2)n[nH]1.CC(C)c1cc(-c2ccc(F)cc2)n[nH]1.CC(C)c1ccn(-c2ccc(Cl)c(Cl)c2)n1.CC(C)c1ccn(-c2ccc(Cl)cc2)n1.CC(C)c1ccn(-c2cccc(Cl)c2)n1.CC(C)c1ccn(-c2ccccc2)n1.CC(C)c1ccn(-c2ccccc2Cl)n1.CC(C)c1ccn(Cc2ccc(Cl)cc2)n1.Cc1ccc(-c2csc(C(C)C)n2)cc1.Cc1ccc(-n2cccc2C(C)C)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole?
The InChIKey is ROMLYGFWZOVLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C13H15ClN2.C13H15NS.C12H12Cl2N2.4C12H13ClN2.C12H13FN2.C12H14N2/c1-11(2)14-5-4-10-15(14)13-8-6-12(3)7-9-13;1-10(2)13-7-8-16(15-13)9-11-3-5-12(14)6-4-11;1-9(2)13-14-12(8-15-13)11-6-4-10(3)5-7-11;1-8(2)12-5-6-16(15-12)9-3-4-10(13)11(14)7-9;1-9(2)12-7-8-15(14-12)11-5-3-10(13)4-6-11;1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-9(2)12-6-7-15(14-12)11-5-3-4-10(13)8-11;1-9(2)11-7-8-15(14-11)12-6-4-3-5-10(12)13;1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-10(2)12-8-9-14(13-12)11-6-4-3-5-7-11/h4-11H,1-3H3;3-8,10H,9H2,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,14,15);2*3-9H,1-2H3;3-8H,1-2H3,(H,14,15);3-10H,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole?
1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole has a molecular weight of 2179.83 g/mol, XLogP of 37.30, 21 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazole;1-(2-chlorophenyl)-3-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-propan-2-yl-1H-pyrazole;1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazole;3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-phenyl-3-propan-2-ylpyrazole is sourced from PubChem (CID 160683804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).