2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol

C16H21ClN2O — CID 106859288

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2ccc(C)cc2Cl)n1
InChIInChI=1S/C16H21ClN2O/c1-4-12(3)19-8-7-13(18-19)10-16(20)14-6-5-11(2)9-15(14)17/h5-9,12,16,20H,4,10H2,1-3H3
InChIKeyDNIVRMLJBNQTCS-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.09
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol (PubChem CID 106859288) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol
PubChem CID106859288
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2ccc(C)cc2Cl)n1
InChIInChI=1S/C16H21ClN2O/c1-4-12(3)19-8-7-13(18-19)10-16(20)14-6-5-11(2)9-15(14)17/h5-9,12,16,20H,4,10H2,1-3H3
InChIKeyDNIVRMLJBNQTCS-UHFFFAOYSA-N
XLogP4.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115806312
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CID 64785243
2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105103223
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chloro-3-fluorophenyl)ethanol
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2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105103217
1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanol
CID 102830097
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 64785041
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
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2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol
CID 104800715
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 105103273
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 64785433
[1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312538

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol (CID 106859288) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol is CCC(C)n1ccc(CC(O)c2ccc(C)cc2Cl)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol?
The InChIKey is DNIVRMLJBNQTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-4-12(3)19-8-7-13(18-19)10-16(20)14-6-5-11(2)9-15(14)17/h5-9,12,16,20H,4,10H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol has a molecular weight of 292.81 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol is sourced from PubChem (CID 106859288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).