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

C18H21N5O2 — CID 51079714

IUPAC1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1nncn1-c1ccccc1)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C18H21N5O2/c24-17-8-14(11-22(17)10-13-6-7-13)18(25)19-9-16-21-20-12-23(16)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,19,25)
InChIKeyOOVWTJPQQHJWAG-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.14
Rot. Bonds6

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

1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 51079714) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID51079714
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1nncn1-c1ccccc1)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C18H21N5O2/c24-17-8-14(11-22(17)10-13-6-7-13)18(25)19-9-16-21-20-12-23(16)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,19,25)
InChIKeyOOVWTJPQQHJWAG-UHFFFAOYSA-N
XLogP1.14
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-
CID 645891
(S)-1-((3R,4R)-1-(4-(3-methyl-1H-1,2,4-triazol-1-yl)benzyl)-3-aminopyrrolidine-4-carbonyl)pyrrolidine-2-carbonitrile
CID 44443350
1-(4-fluorophenyl)-N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)-5-oxopyrrolidine-3-carboxamide
CID 16799311
US11059809, Example 3
CID 137367609
US11691968, Example 121
CID 168474701
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentanecarboxamide
CID 40148143
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide
CID 40148144
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxamide
CID 45883299
N'-(2-fluoro-5-methylphenyl)-N-methyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]succinamide
CID 46993152
6-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 53514636
4-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 53522737
3-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]anilino]-1-methylpyrrolidin-2-one
CID 71975552

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide (CID 51079714) is 1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1nncn1-c1ccccc1)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is OOVWTJPQQHJWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17-8-14(11-22(17)10-13-6-7-13)18(25)19-9-16-21-20-12-23(16)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,19,25).
What are the key properties of 1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide?
1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51079714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).