1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone

C20H25FN4O — CID 56720943

IUPAC1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C20H25FN4O/c21-17-5-3-4-16(12-17)18-13-22-23-20(18)15-6-10-25(11-7-15)19(26)14-24-8-1-2-9-24/h3-5,12-13,15H,1-2,6-11,14H2,(H,22,23)
InChIKeyXLAJVJBSRZASKH-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.02
Rot. Bonds4

About 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone

1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 56720943) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID56720943
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C20H25FN4O/c21-17-5-3-4-16(12-17)18-13-22-23-20(18)15-6-10-25(11-7-15)19(26)14-24-8-1-2-9-24/h3-5,12-13,15H,1-2,6-11,14H2,(H,22,23)
InChIKeyXLAJVJBSRZASKH-UHFFFAOYSA-N
XLogP3.02
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
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(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 122703588
2-[(3S,5R)-3-amino-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)piperidin-1-yl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone
CID 67977926
N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 44522213
(1R,3S,4S)-N-[1-cyano-2-[2-fluoro-4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 90430365
(1R,3S,4S)-N-[(1S)-1-cyano-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 90430751
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 165138612
(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 165140747
N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24791566
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylpropanamide
CID 46990232
(3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 96405438
[3-(4-Fluorophenyl)-2,2-dimethylcyclopropyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 145969671

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 56720943) is 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is XLAJVJBSRZASKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-17-5-3-4-16(12-17)18-13-22-23-20(18)15-6-10-25(11-7-15)19(26)14-24-8-1-2-9-24/h3-5,12-13,15H,1-2,6-11,14H2,(H,22,23).
What are the key properties of 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 356.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 56720943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).