[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol

C17H24N2O — CID 82697742

IUPAC[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCCc1ccc(Cn2nc(CC)c(CO)c2CC)cc1
InChIInChI=1S/C17H24N2O/c1-4-13-7-9-14(10-8-13)11-19-17(6-3)15(12-20)16(5-2)18-19/h7-10,20H,4-6,11-12H2,1-3H3
InChIKeyAWNCCQPEWKOYPJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.11
Rot. Bonds6

About [3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol

[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 82697742) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
PubChem CID82697742
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCCc1ccc(Cn2nc(CC)c(CO)c2CC)cc1
InChIInChI=1S/C17H24N2O/c1-4-13-7-9-14(10-8-13)11-19-17(6-3)15(12-20)16(5-2)18-19/h7-10,20H,4-6,11-12H2,1-3H3
InChIKeyAWNCCQPEWKOYPJ-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol (CID 82697742) is [3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol is CCc1ccc(Cn2nc(CC)c(CO)c2CC)cc1.
What is the InChIKey of [3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is AWNCCQPEWKOYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-13-7-9-14(10-8-13)11-19-17(6-3)15(12-20)16(5-2)18-19/h7-10,20H,4-6,11-12H2,1-3H3.
What are the key properties of [3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol?
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 272.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 82697742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).