3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide

C10H9ClN4O — CID 43539715

IUPAC3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
SMILESNc1cc(C(=O)Nc2cn[nH]c2)ccc1Cl
InChIInChI=1S/C10H9ClN4O/c11-8-2-1-6(3-9(8)12)10(16)15-7-4-13-14-5-7/h1-5H,12H2,(H,13,14)(H,15,16)
InChIKeyFZAYGOPZASPDTG-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.90
Rot. Bonds2

About 3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide

3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 43539715) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
PubChem CID43539715
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
SMILESNc1cc(C(=O)Nc2cn[nH]c2)ccc1Cl
InChIInChI=1S/C10H9ClN4O/c11-8-2-1-6(3-9(8)12)10(16)15-7-4-13-14-5-7/h1-5H,12H2,(H,13,14)(H,15,16)
InChIKeyFZAYGOPZASPDTG-UHFFFAOYSA-N
XLogP1.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 43540234
3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
2-amino-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 62154464
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
4-(3-aminoprop-1-ynyl)-3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 81295664
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
CID 52680605
3-hydroxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 43540289
6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 66462687
5-N-(1H-pyrazol-4-yl)pyridine-2,5-dicarboxamide
CID 86858757
N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
CID 28722825

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide (CID 43539715) is 3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide is Nc1cc(C(=O)Nc2cn[nH]c2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is FZAYGOPZASPDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-8-2-1-6(3-9(8)12)10(16)15-7-4-13-14-5-7/h1-5H,12H2,(H,13,14)(H,15,16).
What are the key properties of 3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide?
3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 236.66 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 43539715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).