3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide

C14H17N5O — CID 63139606

IUPAC3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccccc2-n2cncn2)CCNC1
InChIInChI=1S/C14H17N5O/c1-14(6-7-15-8-14)13(20)18-11-4-2-3-5-12(11)19-10-16-9-17-19/h2-5,9-10,15H,6-8H2,1H3,(H,18,20)
InChIKeyBQUFVTLNZHUCTB-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.21
Rot. Bonds3

About 3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide

3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63139606) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID63139606
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccccc2-n2cncn2)CCNC1
InChIInChI=1S/C14H17N5O/c1-14(6-7-15-8-14)13(20)18-11-4-2-3-5-12(11)19-10-16-9-17-19/h2-5,9-10,15H,6-8H2,1H3,(H,18,20)
InChIKeyBQUFVTLNZHUCTB-UHFFFAOYSA-N
XLogP1.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 63141494
2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide
CID 82764172
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
N-(2-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide
CID 63129946
3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 63141010
phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate
CID 60755049
3-ethyl-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139493
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913002
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63139755
(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide (CID 63139606) is 3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide is CC1(C(=O)Nc2ccccc2-n2cncn2)CCNC1.
What is the InChIKey of 3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is BQUFVTLNZHUCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-14(6-7-15-8-14)13(20)18-11-4-2-3-5-12(11)19-10-16-9-17-19/h2-5,9-10,15H,6-8H2,1H3,(H,18,20).
What are the key properties of 3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide?
3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).