[1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol

C15H20N2O — CID 66437458

IUPAC[1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1Cc1ccc(C)cc1
InChIInChI=1S/C15H20N2O/c1-3-4-15-14(11-18)9-16-17(15)10-13-7-5-12(2)6-8-13/h5-9,18H,3-4,10-11H2,1-2H3
InChIKeyLPGGYKFYMYNQCY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.68
Rot. Bonds5

About [1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol

[1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol (PubChem CID 66437458) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol
PubChem CID66437458
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1Cc1ccc(C)cc1
InChIInChI=1S/C15H20N2O/c1-3-4-15-14(11-18)9-16-17(15)10-13-7-5-12(2)6-8-13/h5-9,18H,3-4,10-11H2,1-2H3
InChIKeyLPGGYKFYMYNQCY-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol (CID 66437458) is [1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol is CCCc1c(CO)cnn1Cc1ccc(C)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol?
The InChIKey is LPGGYKFYMYNQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-4-15-14(11-18)9-16-17(15)10-13-7-5-12(2)6-8-13/h5-9,18H,3-4,10-11H2,1-2H3.
What are the key properties of [1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol?
[1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol has a molecular weight of 244.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol is sourced from PubChem (CID 66437458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).