N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide

C19H15ClN4O — CID 155916587

IUPACN-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide
SMILESCc1cc(NC(=O)c2ccc(C#N)cc2)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C19H15ClN4O/c1-13-10-18(22-19(25)15-8-6-14(11-21)7-9-15)24(23-13)12-16-4-2-3-5-17(16)20/h2-10H,12H2,1H3,(H,22,25)
InChIKeyIQFDNKJENBGSLZ-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.02
Rot. Bonds4

About N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide

N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide (PubChem CID 155916587) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide
PubChem CID155916587
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC NameN-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide
SMILESCc1cc(NC(=O)c2ccc(C#N)cc2)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C19H15ClN4O/c1-13-10-18(22-19(25)15-8-6-14(11-21)7-9-15)24(23-13)12-16-4-2-3-5-17(16)20/h2-10H,12H2,1H3,(H,22,25)
InChIKeyIQFDNKJENBGSLZ-UHFFFAOYSA-N
XLogP4.02
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
CID 31976011
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 155909032
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315682
1-N-[(2-chlorophenyl)methyl]-4-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109047331
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 19335243
4-chloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19335656
(3S,4S)-N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dihydroxypiperidine-1-carboxamide
CID 118791693
N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 5302832
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-nitrobenzamide
CID 19335373
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109233968

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide (CID 155916587) is N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide is Cc1cc(NC(=O)c2ccc(C#N)cc2)n(Cc2ccccc2Cl)n1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide?
The InChIKey is IQFDNKJENBGSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-13-10-18(22-19(25)15-8-6-14(11-21)7-9-15)24(23-13)12-16-4-2-3-5-17(16)20/h2-10H,12H2,1H3,(H,22,25).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide?
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide has a molecular weight of 350.81 g/mol, XLogP of 4.02, 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]-5-methylpyrazol-3-yl]-4-cyanobenzamide is sourced from PubChem (CID 155916587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).