3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole

C14H18N2O — CID 59067540

IUPAC3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole
SMILESCc1cc(OC(C)(C)C)n(-c2ccccc2)n1
InChIInChI=1S/C14H18N2O/c1-11-10-13(17-14(2,3)4)16(15-11)12-8-6-5-7-9-12/h5-10H,1-4H3
InChIKeyPOSJWVGVDLXLIL-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.36
Rot. Bonds2

About 3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole

3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole (PubChem CID 59067540) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole.

Molecular Properties

Compound Name3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole
PubChem CID59067540
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole
SMILESCc1cc(OC(C)(C)C)n(-c2ccccc2)n1
InChIInChI=1S/C14H18N2O/c1-11-10-13(17-14(2,3)4)16(15-11)12-8-6-5-7-9-12/h5-10H,1-4H3
InChIKeyPOSJWVGVDLXLIL-UHFFFAOYSA-N
XLogP3.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole?
The IUPAC name of 3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole (CID 59067540) is 3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole.
What is the SMILES notation for 3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole?
The canonical SMILES for 3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole is Cc1cc(OC(C)(C)C)n(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole?
The InChIKey is POSJWVGVDLXLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-10-13(17-14(2,3)4)16(15-11)12-8-6-5-7-9-12/h5-10H,1-4H3.
What are the key properties of 3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole?
3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole has a molecular weight of 230.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole is sourced from PubChem (CID 59067540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).