1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone

C15H17N3O — CID 107331673

IUPAC1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H17N3O/c19-15(10-12-6-8-16-11-12)14-7-9-17-18(14)13-4-2-1-3-5-13/h1-5,7,9,12,16H,6,8,10-11H2
InChIKeyBWEWEGIUFWYABP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.05
Rot. Bonds4

About 1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone

1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone (PubChem CID 107331673) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone
PubChem CID107331673
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H17N3O/c19-15(10-12-6-8-16-11-12)14-7-9-17-18(14)13-4-2-1-3-5-13/h1-5,7,9,12,16H,6,8,10-11H2
InChIKeyBWEWEGIUFWYABP-UHFFFAOYSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331768
2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331781
1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone
CID 107331683
2-(1,4-diazepan-1-yl)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331630
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone
CID 25265689
3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331880
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone
CID 97165705
(4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107331635
2-phenylpyrazole-3-carbothioamide
CID 83387115
2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331594
2-cyclobutyl-1-(5-fluoro-1-phenylpyrazol-4-yl)ethanone
CID 114244061

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone (CID 107331673) is 1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone is O=C(CC1CCNC1)c1ccnn1-c1ccccc1.
What is the InChIKey of 1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone?
The InChIKey is BWEWEGIUFWYABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(10-12-6-8-16-11-12)14-7-9-17-18(14)13-4-2-1-3-5-13/h1-5,7,9,12,16H,6,8,10-11H2.
What are the key properties of 1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone?
1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone has a molecular weight of 255.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 107331673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).