4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide

C19H21N7O2 — CID 71288525

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H21N7O2/c1-24-17(16(13-21-24)19(28)25-10-5-11-25)18(27)20-9-8-14-12-22-26(23-14)15-6-3-2-4-7-15/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,20,27)
InChIKeySVQQUTMYEZVFSM-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.82
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71288525) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71288525
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H21N7O2/c1-24-17(16(13-21-24)19(28)25-10-5-11-25)18(27)20-9-8-14-12-22-26(23-14)15-6-3-2-4-7-15/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,20,27)
InChIKeySVQQUTMYEZVFSM-UHFFFAOYSA-N
XLogP0.82
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-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)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide (CID 71288525) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1cnn(-c2ccccc2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is SVQQUTMYEZVFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-24-17(16(13-21-24)19(28)25-10-5-11-25)18(27)20-9-8-14-12-22-26(23-14)15-6-3-2-4-7-15/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,20,27).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).