[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone

C16H18FN3O2 — CID 134026359

IUPAC[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(O)CC2)cnn1-c1ccccc1F
InChIInChI=1S/C16H18FN3O2/c1-11-13(16(22)19-8-6-12(21)7-9-19)10-18-20(11)15-5-3-2-4-14(15)17/h2-5,10,12,21H,6-9H2,1H3
InChIKeyHLAKYAJNMRFEOZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.92
Rot. Bonds2

About [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone

[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 134026359) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID134026359
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(O)CC2)cnn1-c1ccccc1F
InChIInChI=1S/C16H18FN3O2/c1-11-13(16(22)19-8-6-12(21)7-9-19)10-18-20(11)15-5-3-2-4-14(15)17/h2-5,10,12,21H,6-9H2,1H3
InChIKeyHLAKYAJNMRFEOZ-UHFFFAOYSA-N
XLogP1.92
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 134023843
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 71897836
4-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239314
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169423
1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55520901
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561305
4-fluoro-N-[1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 34345790
2-cyclopropyl-2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]acetic acid
CID 119213517
[4-(methylaminomethyl)piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119543374
[4-(ethylaminomethyl)piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 119644898
2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid
CID 119202793

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 134026359) is [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone is Cc1c(C(=O)N2CCC(O)CC2)cnn1-c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is HLAKYAJNMRFEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-13(16(22)19-8-6-12(21)7-9-19)10-18-20(11)15-5-3-2-4-14(15)17/h2-5,10,12,21H,6-9H2,1H3.
What are the key properties of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 303.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 134026359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).