4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide

C21H16ClN3O — CID 1224602

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C21H16ClN3O/c22-18-12-23-25(14-18)13-15-8-10-17(11-9-15)21(26)24-20-7-3-5-16-4-1-2-6-19(16)20/h1-12,14H,13H2,(H,24,26)
InChIKeyOTZKIKZRLPZQRB-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.99
Rot. Bonds4

About 4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide

4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide (PubChem CID 1224602) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide
PubChem CID1224602
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C21H16ClN3O/c22-18-12-23-25(14-18)13-15-8-10-17(11-9-15)21(26)24-20-7-3-5-16-4-1-2-6-19(16)20/h1-12,14H,13H2,(H,24,26)
InChIKeyOTZKIKZRLPZQRB-UHFFFAOYSA-N
XLogP4.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

hCB1 Inhibitor, 2{1,1,8}
CID 11465875
hCB1 Inhibitor, 2{1,1,3}
CID 57333118
N-[(5-aminonaphthalen-2-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168282458
N-(3-chlorophenyl)-4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzamide
CID 708266
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide
CID 892256
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N'-[4-(dimethylamino)benzylidene]benzohydrazide
CID 5430514
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide
CID 891700
1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
CID 1235417
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 708264
N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
CID 993878
Methanone, (4-((4-chloro-1H-pyrazol-1-yl)methyl)phenyl)(4-phenyl-1-piperazinyl)-
CID 1223551
N-(5-chloro-2-methylphenyl)-4-[(4-chloro-1-pyrazolyl)methyl]benzamide
CID 1272230

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide (CID 1224602) is 4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide is O=C(Nc1cccc2ccccc12)c1ccc(Cn2cc(Cl)cn2)cc1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide?
The InChIKey is OTZKIKZRLPZQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-18-12-23-25(14-18)13-15-8-10-17(11-9-15)21(26)24-20-7-3-5-16-4-1-2-6-19(16)20/h1-12,14H,13H2,(H,24,26).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide?
4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide has a molecular weight of 361.83 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 1224602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).