2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide

C9H12FN5O2 — CID 170519073

IUPAC2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1(F)CCCN1C(=O)Cn1ccnn1
InChIInChI=1S/C9H12FN5O2/c10-9(8(11)17)2-1-4-15(9)7(16)6-14-5-3-12-13-14/h3,5H,1-2,4,6H2,(H2,11,17)
InChIKeyDFOSMVHRAXUCKD-UHFFFAOYSA-N
MW241.23 g/mol
LogP-0.95
Rot. Bonds3

About 2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide

2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 170519073) has the molecular formula C9H12FN5O2 and a molecular weight of 241.23 g/mol. Its IUPAC name is 2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID170519073
Molecular FormulaC9H12FN5O2
Molecular Weight241.23 g/mol
Exact Mass241.10
IUPAC Name2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1(F)CCCN1C(=O)Cn1ccnn1
InChIInChI=1S/C9H12FN5O2/c10-9(8(11)17)2-1-4-15(9)7(16)6-14-5-3-12-13-14/h3,5H,1-2,4,6H2,(H2,11,17)
InChIKeyDFOSMVHRAXUCKD-UHFFFAOYSA-N
XLogP-0.95
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[2-[5-(Trifluoromethyl)triazol-1-yl]acetyl]pyrrolidine-2-carboxamide
CID 176025988
1-[2-[4-(Trifluoromethyl)triazol-1-yl]acetyl]pyrrolidine-2-carboxamide
CID 176026091
(4,4-Difluoropyrrolidin-2-yl)-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 120955178
2-[methyl(2,2,2-trifluoroethyl)amino]-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 132356038
(2R)-1-propanoyl-2-(triazol-1-yl)pyrrolidine-2-carboxamide
CID 118272238
(2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide
CID 163303070
1-[2-(Triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 176026065
1-Pyrrolidin-1-yl-2-(triazol-1-yl)ethanone
CID 78975346
N-(6-oxopiperidin-3-yl)-2-(triazol-1-yl)acetamide
CID 79832394
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81470045
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
1-(3-Aminopyrrolidin-1-yl)-2-(triazol-1-yl)ethanone
CID 81478721

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide (CID 170519073) is 2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide is NC(=O)C1(F)CCCN1C(=O)Cn1ccnn1.
What is the InChIKey of 2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is DFOSMVHRAXUCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN5O2/c10-9(8(11)17)2-1-4-15(9)7(16)6-14-5-3-12-13-14/h3,5H,1-2,4,6H2,(H2,11,17).
What are the key properties of 2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide?
2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 241.23 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170519073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).