[5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol

C16H20N2O — CID 82089024

IUPAC[5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol
SMILESCc1cc(C)c(-n2nc(CO)cc2C2CC2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-10-6-11(2)16(12(3)7-10)18-15(13-4-5-13)8-14(9-19)17-18/h6-8,13,19H,4-5,9H2,1-3H3
InChIKeyPDDSJZGFKZALNE-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.17
Rot. Bonds3

About [5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol

[5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol (PubChem CID 82089024) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol
PubChem CID82089024
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol
SMILESCc1cc(C)c(-n2nc(CO)cc2C2CC2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-10-6-11(2)16(12(3)7-10)18-15(13-4-5-13)8-14(9-19)17-18/h6-8,13,19H,4-5,9H2,1-3H3
InChIKeyPDDSJZGFKZALNE-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol?
The IUPAC name of [5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol (CID 82089024) is [5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol is Cc1cc(C)c(-n2nc(CO)cc2C2CC2)c(C)c1.
What is the InChIKey of [5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol?
The InChIKey is PDDSJZGFKZALNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-6-11(2)16(12(3)7-10)18-15(13-4-5-13)8-14(9-19)17-18/h6-8,13,19H,4-5,9H2,1-3H3.
What are the key properties of [5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol?
[5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol has a molecular weight of 256.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 82089024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).