1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

C22H23FN4O — CID 70706767

IUPAC1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C22H23FN4O/c23-19-5-1-4-18(13-19)20-15-25-26-22(20)17-8-11-27(12-9-17)21(28)7-6-16-3-2-10-24-14-16/h1-5,10,13-15,17H,6-9,11-12H2,(H,25,26)
InChIKeyJNXATXOYVRAISY-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.95
Rot. Bonds5

About 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 70706767) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID70706767
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C22H23FN4O/c23-19-5-1-4-18(13-19)20-15-25-26-22(20)17-8-11-27(12-9-17)21(28)7-6-16-3-2-10-24-14-16/h1-5,10,13-15,17H,6-9,11-12H2,(H,25,26)
InChIKeyJNXATXOYVRAISY-UHFFFAOYSA-N
XLogP3.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56720943
1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110253960
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
[(1R,3S)-3-aminocyclohexyl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 154895304
1-[5-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 56760118
[3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
CID 56738385
2-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 56742491
(3-fluoro-4-pyridinyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56748447
[1-(2-aminoethyl)triazol-4-yl]-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56739717
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 70706767) is 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is O=C(CCc1cccnc1)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]-3-pyridin-3-ylpropan-1-one?
The InChIKey is JNXATXOYVRAISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-19-5-1-4-18(13-19)20-15-25-26-22(20)17-8-11-27(12-9-17)21(28)7-6-16-3-2-10-24-14-16/h1-5,10,13-15,17H,6-9,11-12H2,(H,25,26).
What are the key properties of 1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 378.45 g/mol, XLogP of 3.95, 5 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]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 70706767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).