1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol

C12H12ClFN2O — CID 174841030

IUPAC1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol
SMILESCc1cc(C(C)(O)c2ccc(F)cc2Cl)n[nH]1
InChIInChI=1S/C12H12ClFN2O/c1-7-5-11(16-15-7)12(2,17)9-4-3-8(14)6-10(9)13/h3-6,17H,1-2H3,(H,15,16)
InChIKeySADMUNJHSQNFBC-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.77
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol

1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol (PubChem CID 174841030) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol
PubChem CID174841030
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol
SMILESCc1cc(C(C)(O)c2ccc(F)cc2Cl)n[nH]1
InChIInChI=1S/C12H12ClFN2O/c1-7-5-11(16-15-7)12(2,17)9-4-3-8(14)6-10(9)13/h3-6,17H,1-2H3,(H,15,16)
InChIKeySADMUNJHSQNFBC-UHFFFAOYSA-N
XLogP2.77
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

alpha,alpha-Bis(4-chlorophenyl)-1H-pyrazole-3-methanol
CID 13672683
1-(3-Phenyl-1h-Pyrazol-5-Yl)cyclopentanol
CID 91754982
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)methanol
CID 49756939
[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]methanol
CID 65717007
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanol
CID 65719181
3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 89488409
3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole
CID 118069368
[2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 122454551
3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole
CID 144845678
2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-fluorophenol
CID 155106353
[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]methanol
CID 156339552
[3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol
CID 164820013

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol (CID 174841030) is 1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol is Cc1cc(C(C)(O)c2ccc(F)cc2Cl)n[nH]1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol?
The InChIKey is SADMUNJHSQNFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-7-5-11(16-15-7)12(2,17)9-4-3-8(14)6-10(9)13/h3-6,17H,1-2H3,(H,15,16).
What are the key properties of 1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol?
1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol has a molecular weight of 254.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-1-(5-methyl-1H-pyrazol-3-yl)ethanol is sourced from PubChem (CID 174841030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).