N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C24H17ClN4O2S — CID 155548753

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C24H17ClN4O2S/c1-31-18-10-7-15(8-11-18)22-19(14-29(28-22)17-5-3-2-4-6-17)23(30)27-24-26-20-12-9-16(25)13-21(20)32-24/h2-14H,1H3,(H,26,27,30)
InChIKeyFPDGSJOUIPJMFW-UHFFFAOYSA-N
MW460.95 g/mol
LogP6.06
Rot. Bonds5

About N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 155548753) has the molecular formula C24H17ClN4O2S and a molecular weight of 460.95 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID155548753
Molecular FormulaC24H17ClN4O2S
Molecular Weight460.95 g/mol
Exact Mass460.08
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C24H17ClN4O2S/c1-31-18-10-7-15(8-11-18)22-19(14-29(28-22)17-5-3-2-4-6-17)23(30)27-24-26-20-12-9-16(25)13-21(20)32-24/h2-14H,1H3,(H,26,27,30)
InChIKeyFPDGSJOUIPJMFW-UHFFFAOYSA-N
XLogP6.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.95
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-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

Related Compounds

3-(4-methoxyphenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1068314
3-(4-isobutoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 1287415
3-(3-methoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 2201062
trans-(1S,2S)-2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 72545063
N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 155518090
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 155518300
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 155531230
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 155558974
US11306081, Example 004
CID 137408497
US11306081, Example 028
CID 156361544
US11306081, Example 035
CID 156381187
US11306081, Example 030
CID 156381234

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 155548753) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc3ccc(Cl)cc3s2)cc1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is FPDGSJOUIPJMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2S/c1-31-18-10-7-15(8-11-18)22-19(14-29(28-22)17-5-3-2-4-6-17)23(30)27-24-26-20-12-9-16(25)13-21(20)32-24/h2-14H,1H3,(H,26,27,30).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 460.95 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155548753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).