N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide

C8H10N4O3 — CID 19263863

IUPACN-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)NC2CC2)n1
InChIInChI=1S/C8H10N4O3/c1-11-4-6(12(14)15)7(10-11)8(13)9-5-2-3-5/h4-5H,2-3H2,1H3,(H,9,13)
InChIKeyMEIALZXYMDOISZ-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.22
Rot. Bonds3

About N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide

N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide (PubChem CID 19263863) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide
PubChem CID19263863
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC NameN-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)NC2CC2)n1
InChIInChI=1S/C8H10N4O3/c1-11-4-6(12(14)15)7(10-11)8(13)9-5-2-3-5/h4-5H,2-3H2,1H3,(H,9,13)
InChIKeyMEIALZXYMDOISZ-UHFFFAOYSA-N
XLogP0.22
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide (CID 19263863) is N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide is Cn1cc([N+](=O)[O-])c(C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide?
The InChIKey is MEIALZXYMDOISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-11-4-6(12(14)15)7(10-11)8(13)9-5-2-3-5/h4-5H,2-3H2,1H3,(H,9,13).
What are the key properties of N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide?
N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide has a molecular weight of 210.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 19263863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).