2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide

C13H14ClN3O — CID 19331013

IUPAC2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
SMILESCCn1ccc(CNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C13H14ClN3O/c1-2-17-8-7-10(16-17)9-15-13(18)11-5-3-4-6-12(11)14/h3-8H,2,9H2,1H3,(H,15,18)
InChIKeyOCJVURBTPRQZPN-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.49
Rot. Bonds4

About 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide

2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide (PubChem CID 19331013) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
PubChem CID19331013
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
SMILESCCn1ccc(CNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C13H14ClN3O/c1-2-17-8-7-10(16-17)9-15-13(18)11-5-3-4-6-12(11)14/h3-8H,2,9H2,1H3,(H,15,18)
InChIKeyOCJVURBTPRQZPN-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide
CID 4865656
4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19263433
(E)-3-(2-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]prop-2-enamide
CID 19331002
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449817
2,4-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 19331140
N-[(1-ethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19330999
4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19329156
2-[[(1-ethylpyrazol-3-yl)methylamino]methyl]benzoic acid;hydrochloride
CID 126966178
4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481676
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19331115
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803693

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide (CID 19331013) is 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide is CCn1ccc(CNC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide?
The InChIKey is OCJVURBTPRQZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-2-17-8-7-10(16-17)9-15-13(18)11-5-3-4-6-12(11)14/h3-8H,2,9H2,1H3,(H,15,18).
What are the key properties of 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide?
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide has a molecular weight of 263.73 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19331013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).