4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide

C11H8ClN5O — CID 110473991

IUPAC4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H8ClN5O/c12-9-3-7(14)1-2-8(9)11(18)16-10-6(4-13)5-15-17-10/h1-3,5H,14H2,(H2,15,16,17,18)
InChIKeyUXNPVCIGCNSLNM-UHFFFAOYSA-N
MW261.67 g/mol
LogP1.77
Rot. Bonds2

About 4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide

4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide (PubChem CID 110473991) has the molecular formula C11H8ClN5O and a molecular weight of 261.67 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
PubChem CID110473991
Molecular FormulaC11H8ClN5O
Molecular Weight261.67 g/mol
Exact Mass261.04
IUPAC Name4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H8ClN5O/c12-9-3-7(14)1-2-8(9)11(18)16-10-6(4-13)5-15-17-10/h1-3,5H,14H2,(H2,15,16,17,18)
InChIKeyUXNPVCIGCNSLNM-UHFFFAOYSA-N
XLogP1.77
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 110473457
2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 114027651
4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 107987719
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924
5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide
CID 114036933
N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide
CID 110473786
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 78913823
N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 79504211
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
CID 78913840

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide (CID 110473991) is 4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide is N#Cc1cn[nH]c1NC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The InChIKey is UXNPVCIGCNSLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O/c12-9-3-7(14)1-2-8(9)11(18)16-10-6(4-13)5-15-17-10/h1-3,5H,14H2,(H2,15,16,17,18).
What are the key properties of 4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide has a molecular weight of 261.67 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 110473991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).