(5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone

C18H22FN3O — CID 56966810

IUPAC(5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccccc1C1CCCCN1C(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C18H22FN3O/c1-12-8-4-5-9-14(12)15-10-6-7-11-22(15)18(23)16-13(2)20-21(3)17(16)19/h4-5,8-9,15H,6-7,10-11H2,1-3H3
InChIKeyRGVWRHKNWOQVEP-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.54
Rot. Bonds2

About (5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone

(5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone (PubChem CID 56966810) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is (5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone
PubChem CID56966810
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name(5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccccc1C1CCCCN1C(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C18H22FN3O/c1-12-8-4-5-9-14(12)15-10-6-7-11-22(15)18(23)16-13(2)20-21(3)17(16)19/h4-5,8-9,15H,6-7,10-11H2,1-3H3
InChIKeyRGVWRHKNWOQVEP-UHFFFAOYSA-N
XLogP3.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dichlorophenyl)piperidin-1-yl]-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone
CID 56966890
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
(2,4-dihydroxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 25058141
(2,4-dihydroxyphenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 15942101
(3-benzyl-2-methylpyrrolidin-1-yl)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methanone
CID 154867595
(2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747406
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 95053533
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 55142862
(4,5-dibromothiophen-2-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 80534413
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone (CID 56966810) is (5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone is Cc1ccccc1C1CCCCN1C(=O)c1c(C)nn(C)c1F.
What is the InChIKey of (5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is RGVWRHKNWOQVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-12-8-4-5-9-14(12)15-10-6-7-11-22(15)18(23)16-13(2)20-21(3)17(16)19/h4-5,8-9,15H,6-7,10-11H2,1-3H3.
What are the key properties of (5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone?
(5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 315.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1,3-dimethylpyrazol-4-yl)-[2-(2-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56966810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).