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

C7H10N4O2 — CID 82503920

IUPAC(3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine
SMILESNCc1[nH]nc(C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O2/c8-3-5-7(11(12)13)6(10-9-5)4-1-2-4/h4H,1-3,8H2,(H,9,10)
InChIKeyUQMUVRVTUWAESG-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.65
Rot. Bonds3

About (3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine

(3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine (PubChem CID 82503920) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is (3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine
PubChem CID82503920
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name(3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine
SMILESNCc1[nH]nc(C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O2/c8-3-5-7(11(12)13)6(10-9-5)4-1-2-4/h4H,1-3,8H2,(H,9,10)
InChIKeyUQMUVRVTUWAESG-UHFFFAOYSA-N
XLogP0.65
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.65
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 (3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine?
The IUPAC name of (3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine (CID 82503920) is (3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for (3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine?
The canonical SMILES for (3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine is NCc1[nH]nc(C2CC2)c1[N+](=O)[O-].
What is the InChIKey of (3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine?
The InChIKey is UQMUVRVTUWAESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-3-5-7(11(12)13)6(10-9-5)4-1-2-4/h4H,1-3,8H2,(H,9,10).
What are the key properties of (3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine?
(3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine has a molecular weight of 182.18 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-4-nitro-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 82503920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).