4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine

C12H22N8O2 — CID 160635766

IUPAC4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine
SMILESCCCn1ncc(N)c1N.CCCn1ncc([N+](=O)[O-])c1N
InChIInChI=1S/C6H10N4O2.C6H12N4/c1-2-3-9-6(7)5(4-8-9)10(11)12;1-2-3-10-6(8)5(7)4-9-10/h4H,2-3,7H2,1H3;4H,2-3,7-8H2,1H3
InChIKeyRINCDOYLHASWIK-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.24
Rot. Bonds5

About 4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine

4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine (PubChem CID 160635766) has the molecular formula C12H22N8O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine
PubChem CID160635766
Molecular FormulaC12H22N8O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine
SMILESCCCn1ncc(N)c1N.CCCn1ncc([N+](=O)[O-])c1N
InChIInChI=1S/C6H10N4O2.C6H12N4/c1-2-3-9-6(7)5(4-8-9)10(11)12;1-2-3-10-6(8)5(7)4-9-10/h4H,2-3,7H2,1H3;4H,2-3,7-8H2,1H3
InChIKeyRINCDOYLHASWIK-UHFFFAOYSA-N
XLogP1.24
TPSA156.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine 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-(3-methylbut-2-enyl)-4-nitropyrazol-5-amine
CID 130674327
5-ethyl-1-methyl-4-nitropyrazole
CID 154882110
4-(4,5-diaminopyrazol-1-yl)butanamide
CID 58913950
1-butyl-4-nitropyrazole-5-carbaldehyde
CID 139674849
ethyl 5-amino-4-nitropyrazole-1-carboxylate
CID 171982552
1-methyl-5-(3-methylbutyl)-4-nitropyrazole
CID 153281711
5-amino-N-methyl-1-propylpyrazole-4-sulfonamide
CID 82459873
1-(3-aminopropyl)pyrazole-4,5-diamine
CID 22227390
4-nitro-1-propylpyrazol-3-amine
CID 122604128
4-nitro-N,1-dipentylpyrazol-5-amine
CID 70391837
1-[[4-(difluoromethyl)phenyl]methyl]-4-nitropyrazol-5-amine
CID 115524195
1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine
CID 62096525

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine?
The IUPAC name of 4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine (CID 160635766) is 4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine?
The canonical SMILES for 4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine is CCCn1ncc(N)c1N.CCCn1ncc([N+](=O)[O-])c1N.
What is the InChIKey of 4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine?
The InChIKey is RINCDOYLHASWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2.C6H12N4/c1-2-3-9-6(7)5(4-8-9)10(11)12;1-2-3-10-6(8)5(7)4-9-10/h4H,2-3,7H2,1H3;4H,2-3,7-8H2,1H3.
What are the key properties of 4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine?
4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine has a molecular weight of 310.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 160635766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).