5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

C13H15ClN4O — CID 104616320

IUPAC5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2cc(N)ccc2Cl)n[nH]1
InChIInChI=1S/C13H15ClN4O/c1-7(2)11-6-12(18-17-11)16-13(19)9-5-8(15)3-4-10(9)14/h3-7H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyUQZHSFLDCWRNEE-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.02
Rot. Bonds3

About 5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 104616320) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID104616320
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2cc(N)ccc2Cl)n[nH]1
InChIInChI=1S/C13H15ClN4O/c1-7(2)11-6-12(18-17-11)16-13(19)9-5-8(15)3-4-10(9)14/h3-7H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyUQZHSFLDCWRNEE-UHFFFAOYSA-N
XLogP3.02
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115868449
2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616261
2-chloro-4-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47935004
2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 113339737
2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 47404862
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 104620466
6-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 103543383
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404888
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 104616320) is 5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is CC(C)c1cc(NC(=O)c2cc(N)ccc2Cl)n[nH]1.
What is the InChIKey of 5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is UQZHSFLDCWRNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-7(2)11-6-12(18-17-11)16-13(19)9-5-8(15)3-4-10(9)14/h3-7H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 278.74 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104616320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).