(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide

C14H17N5O — CID 103813532

IUPAC(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CCCN1
InChIInChI=1S/C14H17N5O/c20-14(13-2-1-7-16-13)18-12-5-3-11(4-6-12)8-19-10-15-9-17-19/h3-6,9-10,13,16H,1-2,7-8H2,(H,18,20)/t13-/m1/s1
InChIKeyCTPUWVKLPOSHLZ-CYBMUJFWSA-N
MW271.32 g/mol
LogP1.02
Rot. Bonds4

About (2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide

(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 103813532) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID103813532
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CCCN1
InChIInChI=1S/C14H17N5O/c20-14(13-2-1-7-16-13)18-12-5-3-11(4-6-12)8-19-10-15-9-17-19/h3-6,9-10,13,16H,1-2,7-8H2,(H,18,20)/t13-/m1/s1
InChIKeyCTPUWVKLPOSHLZ-CYBMUJFWSA-N
XLogP1.02
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-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

N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide
CID 82905865
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide
CID 60944276
N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 71942875
2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 86928588
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119843462
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119846737
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
(2S)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 61165185
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60945171

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide (CID 103813532) is (2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is CTPUWVKLPOSHLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(13-2-1-7-16-13)18-12-5-3-11(4-6-12)8-19-10-15-9-17-19/h3-6,9-10,13,16H,1-2,7-8H2,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103813532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).