[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone

C22H22FN3O2 — CID 42755348

IUPAC[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCCC3)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H22FN3O2/c1-28-19-11-5-16(6-12-19)20-15-21(22(27)25-13-3-2-4-14-25)26(24-20)18-9-7-17(23)8-10-18/h5-12,15H,2-4,13-14H2,1H3
InChIKeyKYQWKIXDNXEELV-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.31
Rot. Bonds4

About [1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone

[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 42755348) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
PubChem CID42755348
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCCC3)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H22FN3O2/c1-28-19-11-5-16(6-12-19)20-15-21(22(27)25-13-3-2-4-14-25)26(24-20)18-9-7-17(23)8-10-18/h5-12,15H,2-4,13-14H2,1H3
InChIKeyKYQWKIXDNXEELV-UHFFFAOYSA-N
XLogP4.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]methanone
CID 7328385
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 5026916
[3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6093083
1-[4-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperazin-1-yl]ethanone
CID 5003812
[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761946
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 811995
[1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 4320538
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 3983305
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761837
(4-ethylpiperazin-4-ium-1-yl)-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 7249121
ethyl 1-[3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5145752

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone (CID 42755348) is [1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone is COc1ccc(-c2cc(C(=O)N3CCCCC3)n(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is KYQWKIXDNXEELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-28-19-11-5-16(6-12-19)20-15-21(22(27)25-13-3-2-4-14-25)26(24-20)18-9-7-17(23)8-10-18/h5-12,15H,2-4,13-14H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone?
[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 379.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42755348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).