N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide

C18H16ClN3O — CID 19397814

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H16ClN3O/c1-13-6-2-4-8-16(13)18(23)21-15-10-20-22(12-15)11-14-7-3-5-9-17(14)19/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyUDAOBGKIRNLSLT-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.15
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide (PubChem CID 19397814) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
PubChem CID19397814
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H16ClN3O/c1-13-6-2-4-8-16(13)18(23)21-15-10-20-22(12-15)11-14-7-3-5-9-17(14)19/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyUDAOBGKIRNLSLT-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-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474860
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402203
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477594
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19397750
methyl 2-[[4-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]pyrazol-1-yl]methyl]benzoate
CID 19344672
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476126
3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 53370702
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475276

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide (CID 19397814) is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide?
The InChIKey is UDAOBGKIRNLSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-13-6-2-4-8-16(13)18(23)21-15-10-20-22(12-15)11-14-7-3-5-9-17(14)19/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-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-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide is sourced from PubChem (CID 19397814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).