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

C13H14Cl2N2O — CID 55172991

IUPAC[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
SMILESCCc1nn(Cc2cccc(Cl)c2)c(Cl)c1CO
InChIInChI=1S/C13H14Cl2N2O/c1-2-12-11(8-18)13(15)17(16-12)7-9-4-3-5-10(14)6-9/h3-6,18H,2,7-8H2,1H3
InChIKeyCCVORINMKTVRPX-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.29
Rot. Bonds4

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

[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol (PubChem CID 55172991) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is [5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
PubChem CID55172991
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
SMILESCCc1nn(Cc2cccc(Cl)c2)c(Cl)c1CO
InChIInChI=1S/C13H14Cl2N2O/c1-2-12-11(8-18)13(15)17(16-12)7-9-4-3-5-10(14)6-9/h3-6,18H,2,7-8H2,1H3
InChIKeyCCVORINMKTVRPX-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697489
[1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol
CID 55170494
(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol
CID 43333639
[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
CID 43156530
5-chloro-4-(chloromethyl)-3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole
CID 63279061
5-chloro-4-(chloromethyl)-1-[(3-chlorophenyl)methyl]-3-(methoxymethyl)pyrazole
CID 55172992
2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 79223129
5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde
CID 63278953
5-chloro-1-[(3-chlorophenyl)methyl]-4-nitro-3-propylpyrazole
CID 66014301
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742
[1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol
CID 63276258
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol
CID 82203683

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol (CID 55172991) is [5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol is CCc1nn(Cc2cccc(Cl)c2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol?
The InChIKey is CCVORINMKTVRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-2-12-11(8-18)13(15)17(16-12)7-9-4-3-5-10(14)6-9/h3-6,18H,2,7-8H2,1H3.
What are the key properties of [5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol?
[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol has a molecular weight of 285.17 g/mol, XLogP of 3.29, 4 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)methyl]-3-ethylpyrazol-4-yl]methanol is sourced from PubChem (CID 55172991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).