4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one

C15H15N5O2 — CID 138005104

IUPAC4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1cccc2[nH]c(=O)[nH]c12)N1CCC(n2cccn2)C1
InChIInChI=1S/C15H15N5O2/c21-14(11-3-1-4-12-13(11)18-15(22)17-12)19-8-5-10(9-19)20-7-2-6-16-20/h1-4,6-7,10H,5,8-9H2,(H2,17,18,22)
InChIKeyVTKFNYCDKZZFSX-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.14
Rot. Bonds2

About 4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one

4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 138005104) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID138005104
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1cccc2[nH]c(=O)[nH]c12)N1CCC(n2cccn2)C1
InChIInChI=1S/C15H15N5O2/c21-14(11-3-1-4-12-13(11)18-15(22)17-12)19-8-5-10(9-19)20-7-2-6-16-20/h1-4,6-7,10H,5,8-9H2,(H2,17,18,22)
InChIKeyVTKFNYCDKZZFSX-UHFFFAOYSA-N
XLogP1.14
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946391
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
(3-pyrazol-1-ylpyrrolidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 126946676
1H-imidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946369
4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110701217
(4-pyrazol-1-ylpiperidin-1-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 99616335
1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95383189
3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946356
1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95283135
4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110701165
(2-amino-3-chlorophenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110451467
(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 138005104) is 4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is O=C(c1cccc2[nH]c(=O)[nH]c12)N1CCC(n2cccn2)C1.
What is the InChIKey of 4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VTKFNYCDKZZFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-14(11-3-1-4-12-13(11)18-15(22)17-12)19-8-5-10(9-19)20-7-2-6-16-20/h1-4,6-7,10H,5,8-9H2,(H2,17,18,22).
What are the key properties of 4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 297.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 138005104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).