1-methyl-4-nitropyrazole-3-carboxamide

C5H6N4O3 — CID 1255557

IUPAC1-methyl-4-nitropyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(N)=O)n1
InChIInChI=1S/C5H6N4O3/c1-8-2-3(9(11)12)4(7-8)5(6)10/h2H,1H3,(H2,6,10)
InChIKeyYVMXSLMGSDQURV-UHFFFAOYSA-N
MW170.13 g/mol
LogP-0.57
Rot. Bonds2

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

1-methyl-4-nitropyrazole-3-carboxamide (PubChem CID 1255557) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is 1-methyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitropyrazole-3-carboxamide
PubChem CID1255557
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name1-methyl-4-nitropyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(N)=O)n1
InChIInChI=1S/C5H6N4O3/c1-8-2-3(9(11)12)4(7-8)5(6)10/h2H,1H3,(H2,6,10)
InChIKeyYVMXSLMGSDQURV-UHFFFAOYSA-N
XLogP-0.57
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.57
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 1-methyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of 1-methyl-4-nitropyrazole-3-carboxamide (CID 1255557) is 1-methyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-4-nitropyrazole-3-carboxamide is Cn1cc([N+](=O)[O-])c(C(N)=O)n1.
What is the InChIKey of 1-methyl-4-nitropyrazole-3-carboxamide?
The InChIKey is YVMXSLMGSDQURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c1-8-2-3(9(11)12)4(7-8)5(6)10/h2H,1H3,(H2,6,10).
What are the key properties of 1-methyl-4-nitropyrazole-3-carboxamide?
1-methyl-4-nitropyrazole-3-carboxamide has a molecular weight of 170.13 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 1255557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).