1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

C21H18ClN5OS — CID 4877248

IUPAC1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C21H18ClN5OS/c1-13-19(14(2)27(26-13)11-15-7-3-4-8-16(15)22)20(28)25-21-24-18(12-29-21)17-9-5-6-10-23-17/h3-10,12H,11H2,1-2H3,(H,24,25,28)
InChIKeySMUFQIGELZCAKH-UHFFFAOYSA-N
MW423.93 g/mol
LogP4.97
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 4877248) has the molecular formula C21H18ClN5OS and a molecular weight of 423.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID4877248
Molecular FormulaC21H18ClN5OS
Molecular Weight423.93 g/mol
Exact Mass423.09
IUPAC Name1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C21H18ClN5OS/c1-13-19(14(2)27(26-13)11-15-7-3-4-8-16(15)22)20(28)25-21-24-18(12-29-21)17-9-5-6-10-23-17/h3-10,12H,11H2,1-2H3,(H,24,25,28)
InChIKeySMUFQIGELZCAKH-UHFFFAOYSA-N
XLogP4.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide 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-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 4877248) is 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is SMUFQIGELZCAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5OS/c1-13-19(14(2)27(26-13)11-15-7-3-4-8-16(15)22)20(28)25-21-24-18(12-29-21)17-9-5-6-10-23-17/h3-10,12H,11H2,1-2H3,(H,24,25,28).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 423.93 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 4877248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).