[2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol

C16H29N3O — CID 82700707

IUPAC[2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCCc1cc(CC)n(CCC2CCCC2(CO)NC)n1
InChIInChI=1S/C16H29N3O/c1-4-14-11-15(5-2)19(18-14)10-8-13-7-6-9-16(13,12-20)17-3/h11,13,17,20H,4-10,12H2,1-3H3
InChIKeyHFSIDWUHNBJUED-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.15
Rot. Bonds7

About [2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol

[2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol (PubChem CID 82700707) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is [2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
PubChem CID82700707
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name[2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCCc1cc(CC)n(CCC2CCCC2(CO)NC)n1
InChIInChI=1S/C16H29N3O/c1-4-14-11-15(5-2)19(18-14)10-8-13-7-6-9-16(13,12-20)17-3/h11,13,17,20H,4-10,12H2,1-3H3
InChIKeyHFSIDWUHNBJUED-UHFFFAOYSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol (CID 82700707) is [2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol is CCc1cc(CC)n(CCC2CCCC2(CO)NC)n1.
What is the InChIKey of [2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol?
The InChIKey is HFSIDWUHNBJUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-14-11-15(5-2)19(18-14)10-8-13-7-6-9-16(13,12-20)17-3/h11,13,17,20H,4-10,12H2,1-3H3.
What are the key properties of [2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol?
[2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol has a molecular weight of 279.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,5-diethylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 82700707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).