N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide

C17H15ClN4OS — CID 8006135

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C17H15ClN4OS/c1-24-17-13(6-4-9-19-17)16(23)21-15-8-10-20-22(15)11-12-5-2-3-7-14(12)18/h2-10H,11H2,1H3,(H,21,23)
InChIKeyHBOCXGRYQJRSCB-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.95
Rot. Bonds5

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 8006135) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID8006135
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C17H15ClN4OS/c1-24-17-13(6-4-9-19-17)16(23)21-15-8-10-20-22(15)11-12-5-2-3-7-14(12)18/h2-10H,11H2,1H3,(H,21,23)
InChIKeyHBOCXGRYQJRSCB-UHFFFAOYSA-N
XLogP3.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide
CID 30397973
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 8892517
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 55496936
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 16568023
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
1-chloro-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]isoquinoline-3-carboxamide
CID 31911520
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892613
2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 18775282
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5-fluoro-2-methylbenzamide
CID 52544670
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
CID 26470200

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 8006135) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccnn1Cc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is HBOCXGRYQJRSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-24-17-13(6-4-9-19-17)16(23)21-15-8-10-20-22(15)11-12-5-2-3-7-14(12)18/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 8006135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).