2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol

C17H24N2O2 — CID 79444422

IUPAC2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol
SMILESCCn1nc(C)cc1CC(CO)(CO)c1ccc(C)cc1
InChIInChI=1S/C17H24N2O2/c1-4-19-16(9-14(3)18-19)10-17(11-20,12-21)15-7-5-13(2)6-8-15/h5-9,20-21H,4,10-12H2,1-3H3
InChIKeyBUEXBVPYYJLRPH-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.98
Rot. Bonds6

About 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol

2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol (PubChem CID 79444422) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol
PubChem CID79444422
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol
SMILESCCn1nc(C)cc1CC(CO)(CO)c1ccc(C)cc1
InChIInChI=1S/C17H24N2O2/c1-4-19-16(9-14(3)18-19)10-17(11-20,12-21)15-7-5-13(2)6-8-15/h5-9,20-21H,4,10-12H2,1-3H3
InChIKeyBUEXBVPYYJLRPH-UHFFFAOYSA-N
XLogP1.98
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol?
The IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol (CID 79444422) is 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol is CCn1nc(C)cc1CC(CO)(CO)c1ccc(C)cc1.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol?
The InChIKey is BUEXBVPYYJLRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-19-16(9-14(3)18-19)10-17(11-20,12-21)15-7-5-13(2)6-8-15/h5-9,20-21H,4,10-12H2,1-3H3.
What are the key properties of 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol?
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol has a molecular weight of 288.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol is sourced from PubChem (CID 79444422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).