(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone

C14H15N3O — CID 62069692

IUPAC(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H15N3O/c18-14(13-8-15-16-9-13)17-7-6-12(10-17)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H,15,16)
InChIKeyFKJNHVOUGRKVBK-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.04
Rot. Bonds2

About (3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone

(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 62069692) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID62069692
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H15N3O/c18-14(13-8-15-16-9-13)17-7-6-12(10-17)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H,15,16)
InChIKeyFKJNHVOUGRKVBK-UHFFFAOYSA-N
XLogP2.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 124617132
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 136577275
(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
[3-(2-bromoethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 114801677
[3-(bromomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660595
[3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63616448
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 43582926

Frequently Asked Questions

What is the IUPAC name of (3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 62069692) is (3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCC(c2ccccc2)C1.
What is the InChIKey of (3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is FKJNHVOUGRKVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(13-8-15-16-9-13)17-7-6-12(10-17)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H,15,16).
What are the key properties of (3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 62069692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).