2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone

C17H21FN4O2 — CID 91830744

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
SMILESCc1cc(N)n(CC(=O)N2CCC(Oc3cccc(F)c3)CC2)n1
InChIInChI=1S/C17H21FN4O2/c1-12-9-16(19)22(20-12)11-17(23)21-7-5-14(6-8-21)24-15-4-2-3-13(18)10-15/h2-4,9-10,14H,5-8,11,19H2,1H3
InChIKeyPUIOROYXCOUDAK-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.98
Rot. Bonds4

About 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone

2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone (PubChem CID 91830744) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
PubChem CID91830744
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
SMILESCc1cc(N)n(CC(=O)N2CCC(Oc3cccc(F)c3)CC2)n1
InChIInChI=1S/C17H21FN4O2/c1-12-9-16(19)22(20-12)11-17(23)21-7-5-14(6-8-21)24-15-4-2-3-13(18)10-15/h2-4,9-10,14H,5-8,11,19H2,1H3
InChIKeyPUIOROYXCOUDAK-UHFFFAOYSA-N
XLogP1.98
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide
CID 91793204
2-(5-amino-3-methylpyrazol-1-yl)-1-[2-(3-fluorophenyl)azepan-1-yl]ethanone
CID 131912952
3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 46972537
2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide
CID 175640635
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 86285777
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]ethanone
CID 124754602
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70735971
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863
(2S)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-hydroxy-4-methylsulfanylbutan-1-one
CID 95860958

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone (CID 91830744) is 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone is Cc1cc(N)n(CC(=O)N2CCC(Oc3cccc(F)c3)CC2)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone?
The InChIKey is PUIOROYXCOUDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-12-9-16(19)22(20-12)11-17(23)21-7-5-14(6-8-21)24-15-4-2-3-13(18)10-15/h2-4,9-10,14H,5-8,11,19H2,1H3.
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone?
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone has a molecular weight of 332.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 91830744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).