5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide

C14H15N5O2 — CID 169403975

IUPAC5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C14H15N5O2/c15-13(20)12-11(16-18-17-12)9-3-5-10(6-4-9)14(21)19-7-1-2-8-19/h3-6H,1-2,7-8H2,(H2,15,20)(H,16,17,18)
InChIKeyGWPVMXCWVCEMRS-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.81
Rot. Bonds3

About 5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide

5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403975) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169403975
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C14H15N5O2/c15-13(20)12-11(16-18-17-12)9-3-5-10(6-4-9)14(21)19-7-1-2-8-19/h3-6H,1-2,7-8H2,(H2,15,20)(H,16,17,18)
InChIKeyGWPVMXCWVCEMRS-UHFFFAOYSA-N
XLogP0.81
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 169403054
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
4-(azocane-1-carbonyl)benzenecarbothioamide
CID 28801480
[5-(3-chlorophenyl)-2H-triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 175649696
5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403164
[4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 71688433
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
[4-(1-methyltetrazol-5-yl)phenyl]-piperidin-1-ylmethanone
CID 71688434
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide
CID 169403301

Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide (CID 169403975) is 5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is GWPVMXCWVCEMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c15-13(20)12-11(16-18-17-12)9-3-5-10(6-4-9)14(21)19-7-1-2-8-19/h3-6H,1-2,7-8H2,(H2,15,20)(H,16,17,18).
What are the key properties of 5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide?
5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).