4-chloro-1-(4-nitrophenyl)pyrazole

C9H6ClN3O2 — CID 23036556

IUPAC4-chloro-1-(4-nitrophenyl)pyrazole
SMILESO=[N+]([O-])c1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C9H6ClN3O2/c10-7-5-11-12(6-7)8-1-3-9(4-2-8)13(14)15/h1-6H
InChIKeyJZIKLPMGHGNVPA-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.43
Rot. Bonds2

About 4-chloro-1-(4-nitrophenyl)pyrazole

4-chloro-1-(4-nitrophenyl)pyrazole (PubChem CID 23036556) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 4-chloro-1-(4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-(4-nitrophenyl)pyrazole
PubChem CID23036556
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name4-chloro-1-(4-nitrophenyl)pyrazole
SMILESO=[N+]([O-])c1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C9H6ClN3O2/c10-7-5-11-12(6-7)8-1-3-9(4-2-8)13(14)15/h1-6H
InChIKeyJZIKLPMGHGNVPA-UHFFFAOYSA-N
XLogP2.43
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-1-(4-nitrophenyl)pyrazole 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

1-(4-nitrophenyl)-4-pyrrolidin-1-ylpyrazole
CID 176615836
2-(4-chloropyrazol-1-yl)-5-nitrobenzaldehyde
CID 54909354
4-(4-chloropyrazol-1-yl)benzaldehyde
CID 61034878
4-nitro-1-phenylpyrazole
CID 2755894
4-chloro-1-(3,5-dichlorophenyl)pyrazole
CID 117063020
N,N-dimethyl-4-(4-nitropyrazol-1-yl)aniline
CID 176615895
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone
CID 55699983
N-methyl-3-[1-(4-nitrophenyl)pyrazol-4-yl]propan-1-amine
CID 62718939
N-[4-(4-chloropyrazol-1-yl)phenyl]formamide
CID 168653170
N'-(4-bromobenzoyl)-1-(4-nitrophenyl)pyrazole-4-carbohydrazide
CID 78883917
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide
CID 86968529
CID 70381437
CID 70381437

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-nitrophenyl)pyrazole?
The IUPAC name of 4-chloro-1-(4-nitrophenyl)pyrazole (CID 23036556) is 4-chloro-1-(4-nitrophenyl)pyrazole.
What is the SMILES notation for 4-chloro-1-(4-nitrophenyl)pyrazole?
The canonical SMILES for 4-chloro-1-(4-nitrophenyl)pyrazole is O=[N+]([O-])c1ccc(-n2cc(Cl)cn2)cc1.
What is the InChIKey of 4-chloro-1-(4-nitrophenyl)pyrazole?
The InChIKey is JZIKLPMGHGNVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c10-7-5-11-12(6-7)8-1-3-9(4-2-8)13(14)15/h1-6H.
What are the key properties of 4-chloro-1-(4-nitrophenyl)pyrazole?
4-chloro-1-(4-nitrophenyl)pyrazole has a molecular weight of 223.62 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-nitrophenyl)pyrazole is sourced from PubChem (CID 23036556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).