2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol

C14H24N2O2 — CID 103169894

IUPAC2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)CC2CC(OCC)C2)cn1
InChIInChI=1S/C14H24N2O2/c1-3-5-16-10-12(9-15-16)14(17)8-11-6-13(7-11)18-4-2/h9-11,13-14,17H,3-8H2,1-2H3
InChIKeyCSLNAQWSHRWHTL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.53
Rot. Bonds7

About 2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol

2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 103169894) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID103169894
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)CC2CC(OCC)C2)cn1
InChIInChI=1S/C14H24N2O2/c1-3-5-16-10-12(9-15-16)14(17)8-11-6-13(7-11)18-4-2/h9-11,13-14,17H,3-8H2,1-2H3
InChIKeyCSLNAQWSHRWHTL-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 65135715
2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165377
2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 103170158
1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-ol
CID 62732009
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol (CID 103169894) is 2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(O)CC2CC(OCC)C2)cn1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is CSLNAQWSHRWHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-5-16-10-12(9-15-16)14(17)8-11-6-13(7-11)18-4-2/h9-11,13-14,17H,3-8H2,1-2H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol?
2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 252.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 103169894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).