1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine

C10H9ClN4O2 — CID 3608254

IUPAC1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine
SMILESCNc1c([N+](=O)[O-])cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4O2/c1-12-10-9(15(16)17)6-13-14(10)8-4-2-7(11)3-5-8/h2-6,12H,1H3
InChIKeyGFKGLEINTDIAFX-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.48
Rot. Bonds3

About 1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine

1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine (PubChem CID 3608254) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine
PubChem CID3608254
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine
SMILESCNc1c([N+](=O)[O-])cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4O2/c1-12-10-9(15(16)17)6-13-14(10)8-4-2-7(11)3-5-8/h2-6,12H,1H3
InChIKeyGFKGLEINTDIAFX-UHFFFAOYSA-N
XLogP2.48
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.48
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine (CID 3608254) is 1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine is CNc1c([N+](=O)[O-])cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine?
The InChIKey is GFKGLEINTDIAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-12-10-9(15(16)17)6-13-14(10)8-4-2-7(11)3-5-8/h2-6,12H,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine?
1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine has a molecular weight of 252.66 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 3608254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).