4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide

C22H25N7O2 — CID 71288717

IUPAC4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)nn1C1CC1
InChIInChI=1S/C22H25N7O2/c1-27-19(17(14-24-27)22(31)28-12-5-13-28)21(30)23-11-10-18-25-20(15-6-3-2-4-7-15)26-29(18)16-8-9-16/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,23,30)
InChIKeyVXEIDWFLICCZIY-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.83
Rot. Bonds7

About 4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 71288717) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID71288717
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)nn1C1CC1
InChIInChI=1S/C22H25N7O2/c1-27-19(17(14-24-27)22(31)28-12-5-13-28)21(30)23-11-10-18-25-20(15-6-3-2-4-7-15)26-29(18)16-8-9-16/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,23,30)
InChIKeyVXEIDWFLICCZIY-UHFFFAOYSA-N
XLogP1.83
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-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 4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide (CID 71288717) is 4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)nn1C1CC1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is VXEIDWFLICCZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-27-19(17(14-24-27)22(31)28-12-5-13-28)21(30)23-11-10-18-25-20(15-6-3-2-4-7-15)26-29(18)16-8-9-16/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,23,30).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[2-(2-cyclopropyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71288717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).