5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole

C19H20N2O — CID 68622638

IUPAC5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole
SMILESCc1c(-c2ccccc2)c(OC(C)C)nn1-c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(2)22-19-18(16-10-6-4-7-11-16)15(3)21(20-19)17-12-8-5-9-13-17/h4-14H,1-3H3
InChIKeyYAVAYVOPVIAMFF-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.63
Rot. Bonds4

About 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole

5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole (PubChem CID 68622638) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole.

Molecular Properties

Compound Name5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole
PubChem CID68622638
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole
SMILESCc1c(-c2ccccc2)c(OC(C)C)nn1-c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(2)22-19-18(16-10-6-4-7-11-16)15(3)21(20-19)17-12-8-5-9-13-17/h4-14H,1-3H3
InChIKeyYAVAYVOPVIAMFF-UHFFFAOYSA-N
XLogP4.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole?
The IUPAC name of 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole (CID 68622638) is 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole.
What is the SMILES notation for 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole?
The canonical SMILES for 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole is Cc1c(-c2ccccc2)c(OC(C)C)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole?
The InChIKey is YAVAYVOPVIAMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(2)22-19-18(16-10-6-4-7-11-16)15(3)21(20-19)17-12-8-5-9-13-17/h4-14H,1-3H3.
What are the key properties of 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole?
5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole has a molecular weight of 292.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole is sourced from PubChem (CID 68622638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).