(1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone

C19H24FN3O3 — CID 155990942

IUPAC(1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(O)(COc3ccc(F)cc3)C2)c(C)n1
InChIInChI=1S/C19H24FN3O3/c1-3-23-11-17(14(2)21-23)18(24)22-10-4-9-19(25,12-22)13-26-16-7-5-15(20)6-8-16/h5-8,11,25H,3-4,9-10,12-13H2,1-2H3
InChIKeyJBWJCPSJPMBLRQ-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.40
Rot. Bonds5

About (1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone

(1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone (PubChem CID 155990942) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is (1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone
PubChem CID155990942
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name(1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(O)(COc3ccc(F)cc3)C2)c(C)n1
InChIInChI=1S/C19H24FN3O3/c1-3-23-11-17(14(2)21-23)18(24)22-10-4-9-19(25,12-22)13-26-16-7-5-15(20)6-8-16/h5-8,11,25H,3-4,9-10,12-13H2,1-2H3
InChIKeyJBWJCPSJPMBLRQ-UHFFFAOYSA-N
XLogP2.40
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethylpyrazol-4-yl)-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]methanone
CID 155990843
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one
CID 155990558
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 155990946
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 155991731
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 155991746
(2,5-difluorophenyl)-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]methanone
CID 155991224
(1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19478100
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 155990699
2-[3-[(3-chlorophenoxy)methyl]-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110078054
N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155990783
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(3-methylphenyl)methanone
CID 155991254
N-benzyl-2-[3-[(3-chlorophenoxy)methyl]-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methylacetamide
CID 110079054

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone (CID 155990942) is (1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone is CCn1cc(C(=O)N2CCCC(O)(COc3ccc(F)cc3)C2)c(C)n1.
What is the InChIKey of (1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is JBWJCPSJPMBLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-3-23-11-17(14(2)21-23)18(24)22-10-4-9-19(25,12-22)13-26-16-7-5-15(20)6-8-16/h5-8,11,25H,3-4,9-10,12-13H2,1-2H3.
What are the key properties of (1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone?
(1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 361.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 155990942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).