4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide

C12H13ClN4O — CID 54951477

IUPAC4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
SMILESNc1ccc(C(=O)NCCn2cccn2)c(Cl)c1
InChIInChI=1S/C12H13ClN4O/c13-11-8-9(14)2-3-10(11)12(18)15-5-7-17-6-1-4-16-17/h1-4,6,8H,5,7,14H2,(H,15,18)
InChIKeyYPCCYTUJJCHKIT-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.55
Rot. Bonds4

About 4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide

4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 54951477) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID54951477
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
SMILESNc1ccc(C(=O)NCCn2cccn2)c(Cl)c1
InChIInChI=1S/C12H13ClN4O/c13-11-8-9(14)2-3-10(11)12(18)15-5-7-17-6-1-4-16-17/h1-4,6,8H,5,7,14H2,(H,15,18)
InChIKeyYPCCYTUJJCHKIT-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
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CID 81226293
5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 114089447
5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
CID 61459996
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
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CID 43167675
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide
CID 113285917
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992
4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride
CID 119853632
2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 62186174
4-amino-2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80681439
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide (CID 54951477) is 4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide is Nc1ccc(C(=O)NCCn2cccn2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is YPCCYTUJJCHKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-11-8-9(14)2-3-10(11)12(18)15-5-7-17-6-1-4-16-17/h1-4,6,8H,5,7,14H2,(H,15,18).
What are the key properties of 4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide?
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 264.72 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 54951477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).