5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide

C13H15N5O — CID 6881196

IUPAC5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N/N=C/c2cccnc2)n[nH]1
InChIInChI=1S/C13H15N5O/c1-9(2)11-6-12(17-16-11)13(19)18-15-8-10-4-3-5-14-7-10/h3-9H,1-2H3,(H,16,17)(H,18,19)/b15-8+
InChIKeyXSZLRCLSGUABRE-OVCLIPMQSA-N
MW257.30 g/mol
LogP1.69
Rot. Bonds4

About 5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide

5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6881196) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6881196
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N/N=C/c2cccnc2)n[nH]1
InChIInChI=1S/C13H15N5O/c1-9(2)11-6-12(17-16-11)13(19)18-15-8-10-4-3-5-14-7-10/h3-9H,1-2H3,(H,16,17)(H,18,19)/b15-8+
InChIKeyXSZLRCLSGUABRE-OVCLIPMQSA-N
XLogP1.69
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-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 5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 6881196) is 5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N/N=C/c2cccnc2)n[nH]1.
What is the InChIKey of 5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is XSZLRCLSGUABRE-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9(2)11-6-12(17-16-11)13(19)18-15-8-10-4-3-5-14-7-10/h3-9H,1-2H3,(H,16,17)(H,18,19)/b15-8+.
What are the key properties of 5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6881196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).