1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol

C12H19ClN2O2 — CID 114638462

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol
SMILESCC(C)n1ncc(Cl)c1C(C)(O)C1CCOC1
InChIInChI=1S/C12H19ClN2O2/c1-8(2)15-11(10(13)6-14-15)12(3,16)9-4-5-17-7-9/h6,8-9,16H,4-5,7H2,1-3H3
InChIKeyLGEOVXTUOZLIBJ-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.36
Rot. Bonds3

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol (PubChem CID 114638462) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol
PubChem CID114638462
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol
SMILESCC(C)n1ncc(Cl)c1C(C)(O)C1CCOC1
InChIInChI=1S/C12H19ClN2O2/c1-8(2)15-11(10(13)6-14-15)12(3,16)9-4-5-17-7-9/h6,8-9,16H,4-5,7H2,1-3H3
InChIKeyLGEOVXTUOZLIBJ-UHFFFAOYSA-N
XLogP2.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chloro-1-propan-2-ylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147616
1-(4-Chloro-1-propan-2-ylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 103147944
(4-Chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105128195
(4-Chloro-1-propan-2-ylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol
CID 105128224
[4-Chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol
CID 105132647
1-[4-Chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 114636093
1-[4-Chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 114636106
2-(4-Chloro-1-ethylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol
CID 114638614
2-[4-Chloro-1-(2-methoxyethyl)pyrazol-5-yl]-6,6,6-trifluorohexan-2-ol
CID 114638618
2-(4-Chloro-1-propan-2-ylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol
CID 114638620
2-(4-Chloro-1-propylpyrazol-5-yl)-6,6,6-trifluorohexan-2-ol
CID 114638621
Oxolan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63976322

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol (CID 114638462) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol is CC(C)n1ncc(Cl)c1C(C)(O)C1CCOC1.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol?
The InChIKey is LGEOVXTUOZLIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-8(2)15-11(10(13)6-14-15)12(3,16)9-4-5-17-7-9/h6,8-9,16H,4-5,7H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol has a molecular weight of 258.75 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 114638462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).