[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol

C12H12Cl2N2O — CID 43156530

IUPAC[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
SMILESCCc1nn(-c2cccc(Cl)c2)c(Cl)c1CO
InChIInChI=1S/C12H12Cl2N2O/c1-2-11-10(7-17)12(14)16(15-11)9-5-3-4-8(13)6-9/h3-6,17H,2,7H2,1H3
InChIKeyDPOHBBHGYXVEDD-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.23
Rot. Bonds3

About [5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol

[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol (PubChem CID 43156530) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is [5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
PubChem CID43156530
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
SMILESCCc1nn(-c2cccc(Cl)c2)c(Cl)c1CO
InChIInChI=1S/C12H12Cl2N2O/c1-2-11-10(7-17)12(14)16(15-11)9-5-3-4-8(13)6-9/h3-6,17H,2,7H2,1H3
InChIKeyDPOHBBHGYXVEDD-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
CID 55172991
5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 71255665
[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333662
[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697489
[5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazol-4-yl]methanol
CID 79823450
5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
CID 66021982
1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586595
5-chloro-1-(3-chlorophenyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde
CID 55062303
2-[1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591582
3-(3-chlorophenyl)-5-ethyltriazole-4-carbaldehyde
CID 105497106
5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 43156610
1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592556

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol (CID 43156530) is [5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol is CCc1nn(-c2cccc(Cl)c2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol?
The InChIKey is DPOHBBHGYXVEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-2-11-10(7-17)12(14)16(15-11)9-5-3-4-8(13)6-9/h3-6,17H,2,7H2,1H3.
What are the key properties of [5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol?
[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol has a molecular weight of 271.15 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol is sourced from PubChem (CID 43156530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).