N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide

C8H10N4O3 — CID 15126159

IUPACN-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O3/c1-4-7(12(14)15)6(11-10-4)8(13)9-5-2-3-5/h5H,2-3H2,1H3,(H,9,13)(H,10,11)
InChIKeyTVAHZJHSFUJZMW-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.52
Rot. Bonds3

About N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide

N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide (PubChem CID 15126159) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
PubChem CID15126159
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC NameN-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O3/c1-4-7(12(14)15)6(11-10-4)8(13)9-5-2-3-5/h5H,2-3H2,1H3,(H,9,13)(H,10,11)
InChIKeyTVAHZJHSFUJZMW-UHFFFAOYSA-N
XLogP0.52
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.52
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 N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide (CID 15126159) is N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC2CC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is TVAHZJHSFUJZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-4-7(12(14)15)6(11-10-4)8(13)9-5-2-3-5/h5H,2-3H2,1H3,(H,9,13)(H,10,11).
What are the key properties of N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 210.19 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 15126159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).