2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

C15H28N4O — CID 114663107

IUPAC2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCC1CNCCC1c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C15H28N4O/c1-5-12-10-16-7-6-13(12)15-14(20-4)11-17-19(15)9-8-18(2)3/h11-13,16H,5-10H2,1-4H3
InChIKeyGODFSKQQSOXEOJ-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.56
Rot. Bonds6

About 2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114663107) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114663107
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCC1CNCCC1c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C15H28N4O/c1-5-12-10-16-7-6-13(12)15-14(20-4)11-17-19(15)9-8-18(2)3/h11-13,16H,5-10H2,1-4H3
InChIKeyGODFSKQQSOXEOJ-UHFFFAOYSA-N
XLogP1.56
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine
CID 114664710
2-[5-(2-bromocyclohexyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114662602
2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114663394
2-[5-(3-chloro-3-cyclopropylpropyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665294
2-(azetidin-3-yl)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
CID 114671355
N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
CID 114667245
2-[5-[2-(aminomethyl)cyclohexyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114666566
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154
2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114656434
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-pyrrolidin-3-ylmethanone
CID 114669133
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol
CID 114866248
2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114666556

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (CID 114663107) is 2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is CCC1CNCCC1c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is GODFSKQQSOXEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-12-10-16-7-6-13(12)15-14(20-4)11-17-19(15)9-8-18(2)3/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 280.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114663107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).