1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol

C13H15ClN2O — CID 62130370

IUPAC1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol
SMILESCc1nn(-c2ccc(C(C)O)cc2)c(C)c1Cl
InChIInChI=1S/C13H15ClN2O/c1-8-13(14)9(2)16(15-8)12-6-4-11(5-7-12)10(3)17/h4-7,10,17H,1-3H3
InChIKeyGEATYDFMVXIKJB-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.20
Rot. Bonds2

About 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol

1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol (PubChem CID 62130370) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol
PubChem CID62130370
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol
SMILESCc1nn(-c2ccc(C(C)O)cc2)c(C)c1Cl
InChIInChI=1S/C13H15ClN2O/c1-8-13(14)9(2)16(15-8)12-6-4-11(5-7-12)10(3)17/h4-7,10,17H,1-3H3
InChIKeyGEATYDFMVXIKJB-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)anilino]propan-2-ol
CID 168639799
3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole
CID 166116933
(1R)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-nitrophenyl]ethanol
CID 63372268
3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine
CID 39247651
N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417
2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide
CID 169368579
1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol
CID 70566742
4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
CID 168527719
(1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
CID 78937591
3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile
CID 82044392
4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole
CID 55038842
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 35281421

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol (CID 62130370) is 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol is Cc1nn(-c2ccc(C(C)O)cc2)c(C)c1Cl.
What is the InChIKey of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is GEATYDFMVXIKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8-13(14)9(2)16(15-8)12-6-4-11(5-7-12)10(3)17/h4-7,10,17H,1-3H3.
What are the key properties of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol?
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 250.73 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 62130370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).