[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone

C21H20FN3O — CID 53149302

IUPAC[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C21H20FN3O/c22-19-7-4-8-20(13-19)25-15-18(14-23-25)16-9-11-24(12-10-16)21(26)17-5-2-1-3-6-17/h1-8,13-16H,9-12H2
InChIKeyWBWCZPAMXKFCGU-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.03
Rot. Bonds3

About [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone

[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 53149302) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
PubChem CID53149302
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C21H20FN3O/c22-19-7-4-8-20(13-19)25-15-18(14-23-25)16-9-11-24(12-10-16)21(26)17-5-2-1-3-6-17/h1-8,13-16H,9-12H2
InChIKeyWBWCZPAMXKFCGU-UHFFFAOYSA-N
XLogP4.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 71842280
2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone
CID 53149268
2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
CID 71842289
(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 22585654
[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 83277174
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154739511
(5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
CID 71842302
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
3-(4-fluoropyrazol-1-yl)benzoic acid
CID 135296191
(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70745005
4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole
CID 130448496
(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 146427603

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone (CID 53149302) is [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1.
What is the InChIKey of [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is WBWCZPAMXKFCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-19-7-4-8-20(13-19)25-15-18(14-23-25)16-9-11-24(12-10-16)21(26)17-5-2-1-3-6-17/h1-8,13-16H,9-12H2.
What are the key properties of [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone?
[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 349.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 53149302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).