5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide

C17H21N5O2 — CID 86929676

IUPAC5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(Cn3cncn3)cc2)CC1=O
InChIInChI=1S/C17H21N5O2/c1-12(2)22-9-14(7-16(22)23)17(24)20-15-5-3-13(4-6-15)8-21-11-18-10-19-21/h3-6,10-12,14H,7-9H2,1-2H3,(H,20,24)
InChIKeyQBMLGTPGUZBFPS-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.52
Rot. Bonds5

About 5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide

5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 86929676) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID86929676
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(Cn3cncn3)cc2)CC1=O
InChIInChI=1S/C17H21N5O2/c1-12(2)22-9-14(7-16(22)23)17(24)20-15-5-3-13(4-6-15)8-21-11-18-10-19-21/h3-6,10-12,14H,7-9H2,1-2H3,(H,20,24)
InChIKeyQBMLGTPGUZBFPS-UHFFFAOYSA-N
XLogP1.52
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-benzyl-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 29128951
(3R)-1-[(4-chlorophenyl)methyl]-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 29128462
1-(1,3-benzodioxol-5-yl)-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 43063966
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1248305
3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119843462
(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400508
(3R)-N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1092696
5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17119826
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 96557834
4-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 120564502
N-[4-(dimethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119798

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide (CID 86929676) is 5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2ccc(Cn3cncn3)cc2)CC1=O.
What is the InChIKey of 5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is QBMLGTPGUZBFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12(2)22-9-14(7-16(22)23)17(24)20-15-5-3-13(4-6-15)8-21-11-18-10-19-21/h3-6,10-12,14H,7-9H2,1-2H3,(H,20,24).
What are the key properties of 5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 86929676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).