[5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol

C15H20N2O2 — CID 54850645

IUPAC[5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol
SMILESCc1[nH]nc(COc2ccc(C(C)C)cc2)c1CO
InChIInChI=1S/C15H20N2O2/c1-10(2)12-4-6-13(7-5-12)19-9-15-14(8-18)11(3)16-17-15/h4-7,10,18H,8-9H2,1-3H3,(H,16,17)
InChIKeyOVBHPCWQBLCWPV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.91
Rot. Bonds5

About [5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol

[5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol (PubChem CID 54850645) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol
PubChem CID54850645
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol
SMILESCc1[nH]nc(COc2ccc(C(C)C)cc2)c1CO
InChIInChI=1S/C15H20N2O2/c1-10(2)12-4-6-13(7-5-12)19-9-15-14(8-18)11(3)16-17-15/h4-7,10,18H,8-9H2,1-3H3,(H,16,17)
InChIKeyOVBHPCWQBLCWPV-UHFFFAOYSA-N
XLogP2.91
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol (CID 54850645) is [5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol is Cc1[nH]nc(COc2ccc(C(C)C)cc2)c1CO.
What is the InChIKey of [5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol?
The InChIKey is OVBHPCWQBLCWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)12-4-6-13(7-5-12)19-9-15-14(8-18)11(3)16-17-15/h4-7,10,18H,8-9H2,1-3H3,(H,16,17).
What are the key properties of [5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol?
[5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol has a molecular weight of 260.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 54850645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).