[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol

C15H19ClN2O — CID 82697489

IUPAC[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(Cc2cccc(Cl)c2)c(CC)c1CO
InChIInChI=1S/C15H19ClN2O/c1-3-14-13(10-19)15(4-2)18(17-14)9-11-6-5-7-12(16)8-11/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyJKWZXKJKPZHWOH-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.20
Rot. Bonds5

About [1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol

[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol (PubChem CID 82697489) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
PubChem CID82697489
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(Cc2cccc(Cl)c2)c(CC)c1CO
InChIInChI=1S/C15H19ClN2O/c1-3-14-13(10-19)15(4-2)18(17-14)9-11-6-5-7-12(16)8-11/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyJKWZXKJKPZHWOH-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.20
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
2-[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 79223129
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742
[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697288
[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82698157
[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 115984308
[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82696869
4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole
CID 82699922
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82700096
2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
CID 79225159
[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

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol (CID 82697489) is [1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol is CCc1nn(Cc2cccc(Cl)c2)c(CC)c1CO.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The InChIKey is JKWZXKJKPZHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-14-13(10-19)15(4-2)18(17-14)9-11-6-5-7-12(16)8-11/h5-8,19H,3-4,9-10H2,1-2H3.
What are the key properties of [1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol has a molecular weight of 278.78 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol is sourced from PubChem (CID 82697489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).