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

C13H17ClN2O2 — CID 83172686

IUPAC1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol
SMILESCC(C)c1nn(C)c(Cl)c1C(O)Cc1ccco1
InChIInChI=1S/C13H17ClN2O2/c1-8(2)12-11(13(14)16(3)15-12)10(17)7-9-5-4-6-18-9/h4-6,8,10,17H,7H2,1-3H3
InChIKeyIKGIUVLMYVZRCC-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.07
Rot. Bonds4

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

1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol (PubChem CID 83172686) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol
PubChem CID83172686
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol
SMILESCC(C)c1nn(C)c(Cl)c1C(O)Cc1ccco1
InChIInChI=1S/C13H17ClN2O2/c1-8(2)12-11(13(14)16(3)15-12)10(17)7-9-5-4-6-18-9/h4-6,8,10,17H,7H2,1-3H3
InChIKeyIKGIUVLMYVZRCC-UHFFFAOYSA-N
XLogP3.07
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)ethanol
CID 105122958
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2,2-difluoroethanol
CID 80605106
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol
CID 105122915
1-(furan-2-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43783211
1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol
CID 103408220
2-(furan-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 83171939
2-(furan-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104823068
2-(furan-2-yl)-1-(4-methyl-3-pyridinyl)ethanol
CID 83171669
[2-(furan-2-yl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264692
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
CID 50955158
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol?
The IUPAC name of 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol (CID 83172686) is 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol?
The canonical SMILES for 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol is CC(C)c1nn(C)c(Cl)c1C(O)Cc1ccco1.
What is the InChIKey of 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol?
The InChIKey is IKGIUVLMYVZRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(2)12-11(13(14)16(3)15-12)10(17)7-9-5-4-6-18-9/h4-6,8,10,17H,7H2,1-3H3.
What are the key properties of 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol?
1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol has a molecular weight of 268.74 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(furan-2-yl)ethanol is sourced from PubChem (CID 83172686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).