[2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol

C14H18N2O2 — CID 114274121

IUPAC[2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol
SMILESCCCOc1cnn(-c2ccc(CO)c(C)c2)c1
InChIInChI=1S/C14H18N2O2/c1-3-6-18-14-8-15-16(9-14)13-5-4-12(10-17)11(2)7-13/h4-5,7-9,17H,3,6,10H2,1-2H3
InChIKeyKQMZWIHZNDAPGX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.46
Rot. Bonds5

About [2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol

[2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol (PubChem CID 114274121) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol
PubChem CID114274121
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol
SMILESCCCOc1cnn(-c2ccc(CO)c(C)c2)c1
InChIInChI=1S/C14H18N2O2/c1-3-6-18-14-8-15-16(9-14)13-5-4-12(10-17)11(2)7-13/h4-5,7-9,17H,3,6,10H2,1-2H3
InChIKeyKQMZWIHZNDAPGX-UHFFFAOYSA-N
XLogP2.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol?
The IUPAC name of [2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol (CID 114274121) is [2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol.
What is the SMILES notation for [2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol?
The canonical SMILES for [2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol is CCCOc1cnn(-c2ccc(CO)c(C)c2)c1.
What is the InChIKey of [2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol?
The InChIKey is KQMZWIHZNDAPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-6-18-14-8-15-16(9-14)13-5-4-12(10-17)11(2)7-13/h4-5,7-9,17H,3,6,10H2,1-2H3.
What are the key properties of [2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol?
[2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol has a molecular weight of 246.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(4-propoxypyrazol-1-yl)phenyl]methanol is sourced from PubChem (CID 114274121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).