1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide

C15H17N5O2 — CID 71878974

IUPAC1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1ccc(-n2ccnn2)cc1
InChIInChI=1S/C15H17N5O2/c1-11(21)19-9-2-3-14(19)15(22)17-12-4-6-13(7-5-12)20-10-8-16-18-20/h4-8,10,14H,2-3,9H2,1H3,(H,17,22)
InChIKeyBSXJWEVKVVHITB-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.22
Rot. Bonds3

About 1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide

1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 71878974) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID71878974
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1ccc(-n2ccnn2)cc1
InChIInChI=1S/C15H17N5O2/c1-11(21)19-9-2-3-14(19)15(22)17-12-4-6-13(7-5-12)20-10-8-16-18-20/h4-8,10,14H,2-3,9H2,1H3,(H,17,22)
InChIKeyBSXJWEVKVVHITB-UHFFFAOYSA-N
XLogP1.22
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
1-acetyl-N-[4-[5-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 76815353
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 86998698
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026021
(2S)-1-acetyl-N-[4-[2-[4-[[(2S)-1-(2-pyridin-4-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 90752777
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 97314578
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(triazol-1-yl)phenyl]azepane-1-carboxamide
CID 86771220
6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid
CID 20503430

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 71878974) is 1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)Nc1ccc(-n2ccnn2)cc1.
What is the InChIKey of 1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is BSXJWEVKVVHITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-11(21)19-9-2-3-14(19)15(22)17-12-4-6-13(7-5-12)20-10-8-16-18-20/h4-8,10,14H,2-3,9H2,1H3,(H,17,22).
What are the key properties of 1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71878974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).