[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone

C24H22F3N3O2 — CID 45211487

IUPAC[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)21-10-8-18(9-11-21)22(31)19-7-4-12-29(15-19)23(32)20-13-28-30(16-20)14-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,16,19H,4,7,12,14-15H2
InChIKeyOYSSNUWMMYLNMS-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.69
Rot. Bonds5

About [1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone

[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 45211487) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is [1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID45211487
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)21-10-8-18(9-11-21)22(31)19-7-4-12-29(15-19)23(32)20-13-28-30(16-20)14-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,16,19H,4,7,12,14-15H2
InChIKeyOYSSNUWMMYLNMS-UHFFFAOYSA-N
XLogP4.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489971
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 24790219
[1-(1-benzylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475301
(1-benzylpyrazol-4-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 51937170
[(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 26332398
3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 42286062
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
(1-benzylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119636679
(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698614

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 45211487) is [1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)C1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of [1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is OYSSNUWMMYLNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c25-24(26,27)21-10-8-18(9-11-21)22(31)19-7-4-12-29(15-19)23(32)20-13-28-30(16-20)14-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,16,19H,4,7,12,14-15H2.
What are the key properties of [1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 441.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 45211487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).