N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine

C10H9ClN4O2 — CID 3122359

IUPACN-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C10H9ClN4O2/c1-6-9(15(16)17)10(14-13-6)12-8-4-2-3-7(11)5-8/h2-5H,1H3,(H2,12,13,14)
InChIKeyFLYMRXZFLYMXQC-UHFFFAOYSA-N
MW252.66 g/mol
LogP3.02
Rot. Bonds3

About N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine

N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine (PubChem CID 3122359) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
PubChem CID3122359
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC NameN-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C10H9ClN4O2/c1-6-9(15(16)17)10(14-13-6)12-8-4-2-3-7(11)5-8/h2-5H,1H3,(H2,12,13,14)
InChIKeyFLYMRXZFLYMXQC-UHFFFAOYSA-N
XLogP3.02
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 53.02
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
The IUPAC name of N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine (CID 3122359) is N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine is Cc1[nH]nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-].
What is the InChIKey of N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
The InChIKey is FLYMRXZFLYMXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-6-9(15(16)17)10(14-13-6)12-8-4-2-3-7(11)5-8/h2-5H,1H3,(H2,12,13,14).
What are the key properties of N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine has a molecular weight of 252.66 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine is sourced from PubChem (CID 3122359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).