N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide

C20H15ClN4O2S — CID 16604951

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C20H15ClN4O2S/c1-27-17-11-25(15-5-3-2-4-6-15)24-18(17)19(26)23-20-22-16(12-28-20)13-7-9-14(21)10-8-13/h2-12H,1H3,(H,22,23,26)
InChIKeyCJIJLGOUFVTEPW-UHFFFAOYSA-N
MW410.89 g/mol
LogP4.91
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 16604951) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID16604951
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C20H15ClN4O2S/c1-27-17-11-25(15-5-3-2-4-6-15)24-18(17)19(26)23-20-22-16(12-28-20)13-7-9-14(21)10-8-13/h2-12H,1H3,(H,22,23,26)
InChIKeyCJIJLGOUFVTEPW-UHFFFAOYSA-N
XLogP4.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 139226266
4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
CID 27844736
[2-(4-chlorophenyl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703384
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 16562200
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51095266
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2162604
1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668806
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 8839003
4-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 47038566

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 16604951) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is CJIJLGOUFVTEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-27-17-11-25(15-5-3-2-4-6-15)24-18(17)19(26)23-20-22-16(12-28-20)13-7-9-14(21)10-8-13/h2-12H,1H3,(H,22,23,26).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 410.89 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 16604951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).