4-nitro-1H-pyrazole-3,5-diamine

C3H5N5O2 — CID 3902379

IUPAC4-nitro-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1[N+](=O)[O-]
InChIInChI=1S/C3H5N5O2/c4-2-1(8(9)10)3(5)7-6-2/h(H5,4,5,6,7)
InChIKeyWOVRMGLBHQMAFH-UHFFFAOYSA-N
MW143.11 g/mol
LogP-0.52
Rot. Bonds1

About 4-nitro-1H-pyrazole-3,5-diamine

4-nitro-1H-pyrazole-3,5-diamine (PubChem CID 3902379) has the molecular formula C3H5N5O2 and a molecular weight of 143.11 g/mol. Its IUPAC name is 4-nitro-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-nitro-1H-pyrazole-3,5-diamine
PubChem CID3902379
Molecular FormulaC3H5N5O2
Molecular Weight143.11 g/mol
Exact Mass143.04
IUPAC Name4-nitro-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1[N+](=O)[O-]
InChIInChI=1S/C3H5N5O2/c4-2-1(8(9)10)3(5)7-6-2/h(H5,4,5,6,7)
InChIKeyWOVRMGLBHQMAFH-UHFFFAOYSA-N
XLogP-0.52
TPSA123.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
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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Related Compounds

3,4,5-Trinitropyrazole
CID 57788219
1H-pyrazole-3,4,5-triamine
CID 10176120
4-Amino-3,5-dinitropyrazole
CID 11480728
1-Amino-3,4,5-trinitropyrazole
CID 87390960
3,4-Dinitro-1H-pyrazole-1,5-diamine
CID 89295953
3,5-Dinitro-1H-pyrazole-1,4-diamine
CID 102442840
N-methyl-3,5-dinitro-1H-pyrazol-4-amine
CID 131531466
5-Amino-3,4-dinitropyrazole
CID 136101843
3-bromo-4,5-dinitro-1H-pyrazole
CID 137295198
Hydrazonodiaminopyrazole
CID 156024926
N,N-difluoro-3,5-dinitro-1H-pyrazol-4-amine
CID 57788221
N,N-difluoro-4,5-dinitro-1H-pyrazol-3-amine
CID 87391679

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-nitro-1H-pyrazole-3,5-diamine (CID 3902379) is 4-nitro-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-nitro-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-nitro-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1[N+](=O)[O-].
What is the InChIKey of 4-nitro-1H-pyrazole-3,5-diamine?
The InChIKey is WOVRMGLBHQMAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O2/c4-2-1(8(9)10)3(5)7-6-2/h(H5,4,5,6,7).
What are the key properties of 4-nitro-1H-pyrazole-3,5-diamine?
4-nitro-1H-pyrazole-3,5-diamine has a molecular weight of 143.11 g/mol, XLogP of -0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 3902379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).