(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone

C18H23N3O — CID 119059902

IUPAC(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CC(c2ccccc2)C(C)(C)C1
InChIInChI=1S/C18H23N3O/c1-4-21-16(10-11-19-21)17(22)20-12-15(18(2,3)13-20)14-8-6-5-7-9-14/h5-11,15H,4,12-13H2,1-3H3
InChIKeyJIMIRORCNPVVDY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.17
Rot. Bonds3

About (3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone

(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone (PubChem CID 119059902) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone
PubChem CID119059902
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CC(c2ccccc2)C(C)(C)C1
InChIInChI=1S/C18H23N3O/c1-4-21-16(10-11-19-21)17(22)20-12-15(18(2,3)13-20)14-8-6-5-7-9-14/h5-11,15H,4,12-13H2,1-3H3
InChIKeyJIMIRORCNPVVDY-UHFFFAOYSA-N
XLogP3.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124588881
(2,4-dimethyl-1,3-oxazol-5-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 124588885
3-[(4S)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
CID 126451422
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 124569564
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 124570113
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 126440527
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)methanone
CID 119067641
(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(3-phenyl-1,2-oxazol-4-yl)methanone
CID 119074099
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 126429901
methyl (6R,7S,8aS)-2-(2-ethylpyrazole-3-carbonyl)-4-oxo-6-phenyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 155496107
(3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 126441051
4-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97193909

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of (3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone (CID 119059902) is (3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for (3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for (3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)N1CC(c2ccccc2)C(C)(C)C1.
What is the InChIKey of (3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is JIMIRORCNPVVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-21-16(10-11-19-21)17(22)20-12-15(18(2,3)13-20)14-8-6-5-7-9-14/h5-11,15H,4,12-13H2,1-3H3.
What are the key properties of (3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone?
(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 119059902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).