1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C17H20FN3O — CID 77090927

IUPAC1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O/c1-13-8-10-19-21(13)12-9-17(22)20-11-2-3-16(20)14-4-6-15(18)7-5-14/h4-8,10,16H,2-3,9,11-12H2,1H3
InChIKeyDGRVAACQHAKBJB-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.08
Rot. Bonds4

About 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 77090927) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID77090927
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O/c1-13-8-10-19-21(13)12-9-17(22)20-11-2-3-16(20)14-4-6-15(18)7-5-14/h4-8,10,16H,2-3,9,11-12H2,1H3
InChIKeyDGRVAACQHAKBJB-UHFFFAOYSA-N
XLogP3.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S,3aR,7aR)-3-(4-fluorophenyl)-4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 92562781
1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110105585
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 118741797
3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one
CID 70721497
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 99788500
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 124963523
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119699976
1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110218887
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 77090927) is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccnn1CCC(=O)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is DGRVAACQHAKBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-13-8-10-19-21(13)12-9-17(22)20-11-2-3-16(20)14-4-6-15(18)7-5-14/h4-8,10,16H,2-3,9,11-12H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 301.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 77090927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).