3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide

C15H12ClN3OS — CID 42874274

IUPAC3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
SMILESCc1[nH]nc(-c2ccsc2)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3OS/c1-9-13(14(19-18-9)11-5-6-21-8-11)17-15(20)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyHGKCYJNQASZANX-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.35
Rot. Bonds3

About 3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide

3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide (PubChem CID 42874274) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
PubChem CID42874274
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
SMILESCc1[nH]nc(-c2ccsc2)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3OS/c1-9-13(14(19-18-9)11-5-6-21-8-11)17-15(20)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyHGKCYJNQASZANX-UHFFFAOYSA-N
XLogP4.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
CID 42687284
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide
CID 42874270
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
CID 14183157
N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,4-dichlorobenzamide
CID 42686632
3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42687572
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
CID 42686982
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide
CID 42656651
3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 17410284
3,4-dichloro-N-[5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]benzamide
CID 42874266
3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide
CID 114074797

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide (CID 42874274) is 3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide is Cc1[nH]nc(-c2ccsc2)c1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide?
The InChIKey is HGKCYJNQASZANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-9-13(14(19-18-9)11-5-6-21-8-11)17-15(20)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide?
3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide has a molecular weight of 317.80 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 42874274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).