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

C16H21ClN2O — CID 114643493

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)c2c(Cl)cnn2C(C)C)cc1C
InChIInChI=1S/C16H21ClN2O/c1-10(2)19-16(14(17)9-18-19)15(20)8-13-6-5-11(3)12(4)7-13/h5-7,9-10,15,20H,8H2,1-4H3
InChIKeyQUQSMRXMYPWTHS-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.01
Rot. Bonds4

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

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol (PubChem CID 114643493) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol
PubChem CID114643493
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)c2c(Cl)cnn2C(C)C)cc1C
InChIInChI=1S/C16H21ClN2O/c1-10(2)19-16(14(17)9-18-19)15(20)8-13-6-5-11(3)12(4)7-13/h5-7,9-10,15,20H,8H2,1-4H3
InChIKeyQUQSMRXMYPWTHS-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3,4-dimethylphenyl)ethanol
CID 114643482
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 114639909
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
CID 105041637
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 114649247
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol
CID 114634943
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114644194
2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642942
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 114650151
2-(4-chlorophenoxy)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanol
CID 105128173
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-dimethylphenyl)methanol
CID 114634928
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol (CID 114643493) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol is Cc1ccc(CC(O)c2c(Cl)cnn2C(C)C)cc1C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol?
The InChIKey is QUQSMRXMYPWTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-10(2)19-16(14(17)9-18-19)15(20)8-13-6-5-11(3)12(4)7-13/h5-7,9-10,15,20H,8H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol has a molecular weight of 292.81 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 114643493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).