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

C18H16ClN3O — CID 18193320

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccnn2Cc2ccccc2Cl)c1
InChIInChI=1S/C18H16ClN3O/c1-13-5-4-7-14(11-13)18(23)21-17-9-10-20-22(17)12-15-6-2-3-8-16(15)19/h2-11H,12H2,1H3,(H,21,23)
InChIKeyGPAHCNVLTWTQAR-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.15
Rot. Bonds4

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

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide (PubChem CID 18193320) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
PubChem CID18193320
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccnn2Cc2ccccc2Cl)c1
InChIInChI=1S/C18H16ClN3O/c1-13-5-4-7-14(11-13)18(23)21-17-9-10-20-22(17)12-15-6-2-3-8-16(15)19/h2-11H,12H2,1H3,(H,21,23)
InChIKeyGPAHCNVLTWTQAR-UHFFFAOYSA-N
XLogP4.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
CID 31976011
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methylphenyl)sulfanylacetamide
CID 52772463
4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide
CID 24509823
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 16563538
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]-2-methylsulfanylpyridine-3-carboxamide
CID 8006135
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-methylbenzamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide (CID 18193320) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccnn2Cc2ccccc2Cl)c1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide?
The InChIKey is GPAHCNVLTWTQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-13-5-4-7-14(11-13)18(23)21-17-9-10-20-22(17)12-15-6-2-3-8-16(15)19/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide has a molecular weight of 325.80 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide is sourced from PubChem (CID 18193320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).