N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine

C9H12N6O2 — CID 4767572

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine
SMILESCc1c(CNc2[nH]ncc2[N+](=O)[O-])cnn1C
InChIInChI=1S/C9H12N6O2/c1-6-7(4-12-14(6)2)3-10-9-8(15(16)17)5-11-13-9/h4-5H,3H2,1-2H3,(H2,10,11,13)
InChIKeyKAOIESOHQOCXRD-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.97
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine (PubChem CID 4767572) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine
PubChem CID4767572
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine
SMILESCc1c(CNc2[nH]ncc2[N+](=O)[O-])cnn1C
InChIInChI=1S/C9H12N6O2/c1-6-7(4-12-14(6)2)3-10-9-8(15(16)17)5-11-13-9/h4-5H,3H2,1-2H3,(H2,10,11,13)
InChIKeyKAOIESOHQOCXRD-UHFFFAOYSA-N
XLogP0.97
TPSA101.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine (CID 4767572) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine is Cc1c(CNc2[nH]ncc2[N+](=O)[O-])cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine?
The InChIKey is KAOIESOHQOCXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-6-7(4-12-14(6)2)3-10-9-8(15(16)17)5-11-13-9/h4-5H,3H2,1-2H3,(H2,10,11,13).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine has a molecular weight of 236.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazol-5-amine is sourced from PubChem (CID 4767572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).