(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C16H18FN3O — CID 115745859

IUPAC(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cc(F)ccc1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C16H18FN3O/c1-11-9-13(17)4-5-14(11)16(21)20-8-2-3-12(10-20)15-6-7-18-19-15/h4-7,9,12H,2-3,8,10H2,1H3,(H,18,19)
InChIKeyPPXSKNAWNSBKHG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.88
Rot. Bonds2

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

(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 115745859) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID115745859
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cc(F)ccc1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C16H18FN3O/c1-11-9-13(17)4-5-14(11)16(21)20-8-2-3-12(10-20)15-6-7-18-19-15/h4-7,9,12H,2-3,8,10H2,1H3,(H,18,19)
InChIKeyPPXSKNAWNSBKHG-UHFFFAOYSA-N
XLogP2.88
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-2-methylphenyl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 141288566
(2-chloro-5-fluoro-3-pyridinyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 103892263
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 80983810
(4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 61109383
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56757178
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605887
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
(4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479438
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605858
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70769853

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 115745859) is (4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cc(F)ccc1C(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is PPXSKNAWNSBKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11-9-13(17)4-5-14(11)16(21)20-8-2-3-12(10-20)15-6-7-18-19-15/h4-7,9,12H,2-3,8,10H2,1H3,(H,18,19).
What are the key properties of (4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 287.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 115745859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).