3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide

C15H19N7O3 — CID 165415359

IUPAC3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)nn1C
InChIInChI=1S/C15H19N7O3/c1-16-13(23)10-7-11(19-20(10)2)18-14(24)12-9(8-17-21(12)3)15(25)22-5-4-6-22/h7-8H,4-6H2,1-3H3,(H,16,23)(H,18,19,24)
InChIKeyHWXFTFKWIGOFRE-UHFFFAOYSA-N
MW345.36 g/mol
LogP-0.39
Rot. Bonds4

About 3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide

3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 165415359) has the molecular formula C15H19N7O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide
PubChem CID165415359
Molecular FormulaC15H19N7O3
Molecular Weight345.36 g/mol
Exact Mass345.15
IUPAC Name3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)nn1C
InChIInChI=1S/C15H19N7O3/c1-16-13(23)10-7-11(19-20(10)2)18-14(24)12-9(8-17-21(12)3)15(25)22-5-4-6-22/h7-8H,4-6H2,1-3H3,(H,16,23)(H,18,19,24)
InChIKeyHWXFTFKWIGOFRE-UHFFFAOYSA-N
XLogP-0.39
TPSA114.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-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 3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide (CID 165415359) is 3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide is CNC(=O)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)nn1C.
What is the InChIKey of 3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is HWXFTFKWIGOFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O3/c1-16-13(23)10-7-11(19-20(10)2)18-14(24)12-9(8-17-21(12)3)15(25)22-5-4-6-22/h7-8H,4-6H2,1-3H3,(H,16,23)(H,18,19,24).
What are the key properties of 3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide?
3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 165415359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).