(5-nitro-1H-pyrazol-4-yl)methanamine

C4H6N4O2 — CID 67831082

IUPAC(5-nitro-1H-pyrazol-4-yl)methanamine
SMILESNCc1cn[nH]c1[N+](=O)[O-]
InChIInChI=1S/C4H6N4O2/c5-1-3-2-6-7-4(3)8(9)10/h2H,1,5H2,(H,6,7)
InChIKeyFAQSKXUVQPADGF-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.22
Rot. Bonds2

About (5-nitro-1H-pyrazol-4-yl)methanamine

(5-nitro-1H-pyrazol-4-yl)methanamine (PubChem CID 67831082) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is (5-nitro-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-nitro-1H-pyrazol-4-yl)methanamine
PubChem CID67831082
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name(5-nitro-1H-pyrazol-4-yl)methanamine
SMILESNCc1cn[nH]c1[N+](=O)[O-]
InChIInChI=1S/C4H6N4O2/c5-1-3-2-6-7-4(3)8(9)10/h2H,1,5H2,(H,6,7)
InChIKeyFAQSKXUVQPADGF-UHFFFAOYSA-N
XLogP-0.22
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.22
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 (5-nitro-1H-pyrazol-4-yl)methanamine?
The IUPAC name of (5-nitro-1H-pyrazol-4-yl)methanamine (CID 67831082) is (5-nitro-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (5-nitro-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (5-nitro-1H-pyrazol-4-yl)methanamine is NCc1cn[nH]c1[N+](=O)[O-].
What is the InChIKey of (5-nitro-1H-pyrazol-4-yl)methanamine?
The InChIKey is FAQSKXUVQPADGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-1-3-2-6-7-4(3)8(9)10/h2H,1,5H2,(H,6,7).
What are the key properties of (5-nitro-1H-pyrazol-4-yl)methanamine?
(5-nitro-1H-pyrazol-4-yl)methanamine has a molecular weight of 142.12 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 67831082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).