N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide

C25H24ClN7O2S — CID 70656001

IUPACN-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1csc(-c2ccnn2C2CCCCO2)n1
InChIInChI=1S/C25H24ClN7O2S/c1-16(14-32-10-8-20(31-32)17-5-6-18(13-27)19(26)12-17)29-24(34)21-15-36-25(30-21)22-7-9-28-33(22)23-4-2-3-11-35-23/h5-10,12,15-16,23H,2-4,11,14H2,1H3,(H,29,34)
InChIKeyKFCFTGOKVPWGJH-UHFFFAOYSA-N
MW522.03 g/mol
LogP4.91
Rot. Bonds7

About N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide

N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 70656001) has the molecular formula C25H24ClN7O2S and a molecular weight of 522.03 g/mol. Its IUPAC name is N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID70656001
Molecular FormulaC25H24ClN7O2S
Molecular Weight522.03 g/mol
Exact Mass521.14
IUPAC NameN-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1csc(-c2ccnn2C2CCCCO2)n1
InChIInChI=1S/C25H24ClN7O2S/c1-16(14-32-10-8-20(31-32)17-5-6-18(13-27)19(26)12-17)29-24(34)21-15-36-25(30-21)22-7-9-28-33(22)23-4-2-3-11-35-23/h5-10,12,15-16,23H,2-4,11,14H2,1H3,(H,29,34)
InChIKeyKFCFTGOKVPWGJH-UHFFFAOYSA-N
XLogP4.91
TPSA110.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.03
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-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 N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide (CID 70656001) is N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide is CC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1csc(-c2ccnn2C2CCCCO2)n1.
What is the InChIKey of N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is KFCFTGOKVPWGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O2S/c1-16(14-32-10-8-20(31-32)17-5-6-18(13-27)19(26)12-17)29-24(34)21-15-36-25(30-21)22-7-9-28-33(22)23-4-2-3-11-35-23/h5-10,12,15-16,23H,2-4,11,14H2,1H3,(H,29,34).
What are the key properties of N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 522.03 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70656001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).