(3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone

C19H24FN3O — CID 46589101

IUPAC(3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone
SMILESCCc1c(C(=O)N2CC(C)CC(C)C2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-4-18-17(19(24)22-11-13(2)9-14(3)12-22)10-21-23(18)16-7-5-15(20)6-8-16/h5-8,10,13-14H,4,9,11-12H2,1-3H3
InChIKeyCVAZPFXMKYMKNH-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.69
Rot. Bonds3

About (3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone (PubChem CID 46589101) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone
PubChem CID46589101
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone
SMILESCCc1c(C(=O)N2CC(C)CC(C)C2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-4-18-17(19(24)22-11-13(2)9-14(3)12-22)10-21-23(18)16-7-5-15(20)6-8-16/h5-8,10,13-14H,4,9,11-12H2,1-3H3
InChIKeyCVAZPFXMKYMKNH-UHFFFAOYSA-N
XLogP3.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone
CID 56815923
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166052
(3S)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173520
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886741
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 126773665
[4-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 51133320
N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480273
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815469
2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 39325357
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 46589100
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 37273958
1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835872

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone (CID 46589101) is (3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone is CCc1c(C(=O)N2CC(C)CC(C)C2)cnn1-c1ccc(F)cc1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone?
The InChIKey is CVAZPFXMKYMKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-4-18-17(19(24)22-11-13(2)9-14(3)12-22)10-21-23(18)16-7-5-15(20)6-8-16/h5-8,10,13-14H,4,9,11-12H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone has a molecular weight of 329.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 46589101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).