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

C18H13ClN4O — CID 31976011

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccnn2Cc2ccccc2Cl)c1
InChIInChI=1S/C18H13ClN4O/c19-16-7-2-1-5-15(16)12-23-17(8-9-21-23)22-18(24)14-6-3-4-13(10-14)11-20/h1-10H,12H2,(H,22,24)
InChIKeyHUODPQPRJICGSZ-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.71
Rot. Bonds4

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

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide (PubChem CID 31976011) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
PubChem CID31976011
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccnn2Cc2ccccc2Cl)c1
InChIInChI=1S/C18H13ClN4O/c19-16-7-2-1-5-15(16)12-23-17(8-9-21-23)22-18(24)14-6-3-4-13(10-14)11-20/h1-10H,12H2,(H,22,24)
InChIKeyHUODPQPRJICGSZ-UHFFFAOYSA-N
XLogP3.71
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide
CID 18096334
3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35324088
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide
CID 155916587
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
1-chloro-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]isoquinoline-3-carboxamide
CID 31911520
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55434210
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 31976483
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-3,5-dichlorobenzamide
CID 18206219
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]quinoline-5-carboxamide
CID 30397973

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide (CID 31976011) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2ccnn2Cc2ccccc2Cl)c1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide?
The InChIKey is HUODPQPRJICGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-16-7-2-1-5-15(16)12-23-17(8-9-21-23)22-18(24)14-6-3-4-13(10-14)11-20/h1-10H,12H2,(H,22,24).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide has a molecular weight of 336.78 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide is sourced from PubChem (CID 31976011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).