2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

C12H13ClN4O — CID 113331776

IUPAC2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCN(Cc1cn[nH]c1)C(=O)c1cccc(Cl)c1N
InChIInChI=1S/C12H13ClN4O/c1-17(7-8-5-15-16-6-8)12(18)9-3-2-4-10(13)11(9)14/h2-6H,7,14H2,1H3,(H,15,16)
InChIKeyJLFKEKPSWJVXBK-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.92
Rot. Bonds3

About 2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 113331776) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID113331776
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCN(Cc1cn[nH]c1)C(=O)c1cccc(Cl)c1N
InChIInChI=1S/C12H13ClN4O/c1-17(7-8-5-15-16-6-8)12(18)9-3-2-4-10(13)11(9)14/h2-6H,7,14H2,1H3,(H,15,16)
InChIKeyJLFKEKPSWJVXBK-UHFFFAOYSA-N
XLogP1.92
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829979
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438
2-amino-4-bromo-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 79723302
2-amino-6-methoxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 81420879
2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362
2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105381264
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669
2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 107676711
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 112792625
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 113331776) is 2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is CN(Cc1cn[nH]c1)C(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is JLFKEKPSWJVXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-17(7-8-5-15-16-6-8)12(18)9-3-2-4-10(13)11(9)14/h2-6H,7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 264.72 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 113331776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).