4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine

C10H9ClN4O2 — CID 157037280

IUPAC4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine
SMILESCn1cc(-c2cc([N+](=O)[O-])ccc2Cl)c(N)n1
InChIInChI=1S/C10H9ClN4O2/c1-14-5-8(10(12)13-14)7-4-6(15(16)17)2-3-9(7)11/h2-5H,1H3,(H2,12,13)
InChIKeyRPJXAAWWRJLFHQ-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.23
Rot. Bonds2

About 4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine

4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine (PubChem CID 157037280) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine
PubChem CID157037280
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine
SMILESCn1cc(-c2cc([N+](=O)[O-])ccc2Cl)c(N)n1
InChIInChI=1S/C10H9ClN4O2/c1-14-5-8(10(12)13-14)7-4-6(15(16)17)2-3-9(7)11/h2-5H,1H3,(H2,12,13)
InChIKeyRPJXAAWWRJLFHQ-UHFFFAOYSA-N
XLogP2.23
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine 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

2-chloro-1-(2-chloro-5-nitrophenyl)-3-nitrobenzene
CID 171785769
1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102942629
1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene
CID 134630362
(1,3-dimethylpyrazol-4-yl)methyl 2-chloro-5-nitrobenzoate
CID 896244
2-(2-chloro-5-nitrophenyl)furan
CID 15318128
1-chloro-2-(4-methylphenyl)-4-nitrobenzene;formamide
CID 144972005
2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230675
aniline;1,2-dichloro-4-nitrobenzene
CID 86084076
2-(2-chloro-5-nitrophenyl)-5-methylpyridine
CID 66878225
1-chloro-4-nitro-2-propan-2-ylbenzene
CID 21051004
6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine
CID 90411524
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine?
The IUPAC name of 4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine (CID 157037280) is 4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine is Cn1cc(-c2cc([N+](=O)[O-])ccc2Cl)c(N)n1.
What is the InChIKey of 4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine?
The InChIKey is RPJXAAWWRJLFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-14-5-8(10(12)13-14)7-4-6(15(16)17)2-3-9(7)11/h2-5H,1H3,(H2,12,13).
What are the key properties of 4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine?
4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine has a molecular weight of 252.66 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 157037280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).