1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide

C9H13N5O3 — CID 11615629

IUPAC1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide
SMILESCCc1c([N+](=O)[O-])c(C(N)=O)nn1C1CNC1
InChIInChI=1S/C9H13N5O3/c1-2-6-8(14(16)17)7(9(10)15)12-13(6)5-3-11-4-5/h5,11H,2-4H2,1H3,(H2,10,15)
InChIKeyAVRLHPZJSKGMKF-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.40
Rot. Bonds4

About 1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide

1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide (PubChem CID 11615629) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide
PubChem CID11615629
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide
SMILESCCc1c([N+](=O)[O-])c(C(N)=O)nn1C1CNC1
InChIInChI=1S/C9H13N5O3/c1-2-6-8(14(16)17)7(9(10)15)12-13(6)5-3-11-4-5/h5,11H,2-4H2,1H3,(H2,10,15)
InChIKeyAVRLHPZJSKGMKF-UHFFFAOYSA-N
XLogP-0.40
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide (CID 11615629) is 1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide is CCc1c([N+](=O)[O-])c(C(N)=O)nn1C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide?
The InChIKey is AVRLHPZJSKGMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-2-6-8(14(16)17)7(9(10)15)12-13(6)5-3-11-4-5/h5,11H,2-4H2,1H3,(H2,10,15).
What are the key properties of 1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide?
1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide has a molecular weight of 239.23 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-5-ethyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 11615629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).