4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide

C21H16ClN3O — CID 19399595

IUPAC4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O/c22-18-10-8-16(9-11-18)21(26)24-19-12-23-25(14-19)13-17-6-3-5-15-4-1-2-7-20(15)17/h1-12,14H,13H2,(H,24,26)
InChIKeyUFCVINFNIUCMOU-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.99
Rot. Bonds4

About 4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide

4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide (PubChem CID 19399595) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
PubChem CID19399595
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O/c22-18-10-8-16(9-11-18)21(26)24-19-12-23-25(14-19)13-17-6-3-5-15-4-1-2-7-20(15)17/h1-12,14H,13H2,(H,24,26)
InChIKeyUFCVINFNIUCMOU-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

1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea
CID 19447846
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 19397856
2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507401
4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263639
2-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397858
4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397955
4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476955
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416922
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 17266709
4-bromo-1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267344
1-(3-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
CID 17300277
3-[3-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506538

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide (CID 19399595) is 4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
The InChIKey is UFCVINFNIUCMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-18-10-8-16(9-11-18)21(26)24-19-12-23-25(14-19)13-17-6-3-5-15-4-1-2-7-20(15)17/h1-12,14H,13H2,(H,24,26).
What are the key properties of 4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide 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-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19399595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).