4-nitro-5-propyl-1H-pyrazole-3-carboxamide

C7H10N4O3 — CID 16780412

IUPAC4-nitro-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O3/c1-2-3-4-6(11(13)14)5(7(8)12)10-9-4/h2-3H2,1H3,(H2,8,12)(H,9,10)
InChIKeyOEOQYHINYSQQOO-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.37
Rot. Bonds4

About 4-nitro-5-propyl-1H-pyrazole-3-carboxamide

4-nitro-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 16780412) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-nitro-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-nitro-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID16780412
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name4-nitro-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O3/c1-2-3-4-6(11(13)14)5(7(8)12)10-9-4/h2-3H2,1H3,(H2,8,12)(H,9,10)
InChIKeyOEOQYHINYSQQOO-UHFFFAOYSA-N
XLogP0.37
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.37
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 4-nitro-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-nitro-5-propyl-1H-pyrazole-3-carboxamide (CID 16780412) is 4-nitro-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-nitro-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-nitro-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(N)=O)c1[N+](=O)[O-].
What is the InChIKey of 4-nitro-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is OEOQYHINYSQQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-2-3-4-6(11(13)14)5(7(8)12)10-9-4/h2-3H2,1H3,(H2,8,12)(H,9,10).
What are the key properties of 4-nitro-5-propyl-1H-pyrazole-3-carboxamide?
4-nitro-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 198.18 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 16780412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).