1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol

C12H13ClN2O — CID 3838438

IUPAC1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol
SMILESCC(O)c1c(-c2ccccc2)nn(C)c1Cl
InChIInChI=1S/C12H13ClN2O/c1-8(16)10-11(14-15(2)12(10)13)9-6-4-3-5-7-9/h3-8,16H,1-2H3
InChIKeySNLHRUDQRHIDBN-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.79
Rot. Bonds2

About 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol

1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol (PubChem CID 3838438) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol
PubChem CID3838438
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol
SMILESCC(O)c1c(-c2ccccc2)nn(C)c1Cl
InChIInChI=1S/C12H13ClN2O/c1-8(16)10-11(14-15(2)12(10)13)9-6-4-3-5-7-9/h3-8,16H,1-2H3
InChIKeySNLHRUDQRHIDBN-UHFFFAOYSA-N
XLogP2.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
5-Chloro-4-[methoxy(phenyl)methyl]-1-methyl-3-phenylpyrazole
CID 3734300
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)[2-(trifluoromethyl)phenyl]methanol
CID 3740021
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-propanol
CID 3756816
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-buten-1-ol
CID 3560876
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)(4-chlorophenyl)methanol
CID 5180935
{3-benzyl-1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16191666
1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]ethanol
CID 50908375
2-[(5-Chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol;hydrochloride
CID 53538717
(1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
CID 14354447
3-[[(1,5-dimethyl-1H-pyrazol-3-yl)methyl](methyl)amino]-1-phenyl-1-propanol
CID 45250350
2-[4-[(3,5-Dichlorophenyl)-hydroxy-methyl]-3,5-diethyl-pyrazol-1-yl]ethanol
CID 45486836

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol (CID 3838438) is 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol is CC(O)c1c(-c2ccccc2)nn(C)c1Cl.
What is the InChIKey of 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol?
The InChIKey is SNLHRUDQRHIDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8(16)10-11(14-15(2)12(10)13)9-6-4-3-5-7-9/h3-8,16H,1-2H3.
What are the key properties of 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol?
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol has a molecular weight of 236.70 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanol is sourced from PubChem (CID 3838438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).