1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one

C16H27N3O2 — CID 114641168

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one
SMILESCCn1ncc(OC)c1C(=O)C(C)(CC)N1CCCCC1
InChIInChI=1S/C16H27N3O2/c1-5-16(3,18-10-8-7-9-11-18)15(20)14-13(21-4)12-17-19(14)6-2/h12H,5-11H2,1-4H3
InChIKeyHVRWCFDTPGESEB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.75
Rot. Bonds6

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one (PubChem CID 114641168) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one
PubChem CID114641168
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one
SMILESCCn1ncc(OC)c1C(=O)C(C)(CC)N1CCCCC1
InChIInChI=1S/C16H27N3O2/c1-5-16(3,18-10-8-7-9-11-18)15(20)14-13(21-4)12-17-19(14)6-2/h12H,5-11H2,1-4H3
InChIKeyHVRWCFDTPGESEB-UHFFFAOYSA-N
XLogP2.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 114641152
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114642639
2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670105
1-(3,4-dimethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79058805
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656654
1-(4-methoxy-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 114641103
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656815
2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114669627
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
CID 114671046
(1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105133074
[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylpropyl]hydrazine
CID 105239831

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one (CID 114641168) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one is CCn1ncc(OC)c1C(=O)C(C)(CC)N1CCCCC1.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one?
The InChIKey is HVRWCFDTPGESEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-16(3,18-10-8-7-9-11-18)15(20)14-13(21-4)12-17-19(14)6-2/h12H,5-11H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one?
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one has a molecular weight of 293.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 114641168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).