1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole

C16H22N2 — CID 166536436

IUPAC1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole
SMILESCC(C)c1cccc(-c2cc(C(C)C)n(C)n2)c1
InChIInChI=1S/C16H22N2/c1-11(2)13-7-6-8-14(9-13)15-10-16(12(3)4)18(5)17-15/h6-12H,1-5H3
InChIKeyMVXQWUBCJYGLOL-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.33
Rot. Bonds3

About 1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole

1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole (PubChem CID 166536436) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole
PubChem CID166536436
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole
SMILESCC(C)c1cccc(-c2cc(C(C)C)n(C)n2)c1
InChIInChI=1S/C16H22N2/c1-11(2)13-7-6-8-14(9-13)15-10-16(12(3)4)18(5)17-15/h6-12H,1-5H3
InChIKeyMVXQWUBCJYGLOL-UHFFFAOYSA-N
XLogP4.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole?
The IUPAC name of 1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole (CID 166536436) is 1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole.
What is the SMILES notation for 1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole?
The canonical SMILES for 1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole is CC(C)c1cccc(-c2cc(C(C)C)n(C)n2)c1.
What is the InChIKey of 1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole?
The InChIKey is MVXQWUBCJYGLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11(2)13-7-6-8-14(9-13)15-10-16(12(3)4)18(5)17-15/h6-12H,1-5H3.
What are the key properties of 1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole?
1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole has a molecular weight of 242.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole is sourced from PubChem (CID 166536436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).