3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole

C15H20N2 — CID 166116933

IUPAC3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole
SMILESCc1nn(-c2ccc(C(C)C)cc2)c(C)c1C
InChIInChI=1S/C15H20N2/c1-10(2)14-6-8-15(9-7-14)17-13(5)11(3)12(4)16-17/h6-10H,1-5H3
InChIKeyUNYQQJPHZUULSE-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.92
Rot. Bonds2

About 3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole

3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole (PubChem CID 166116933) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole.

Molecular Properties

Compound Name3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole
PubChem CID166116933
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole
SMILESCc1nn(-c2ccc(C(C)C)cc2)c(C)c1C
InChIInChI=1S/C15H20N2/c1-10(2)14-6-8-15(9-7-14)17-13(5)11(3)12(4)16-17/h6-10H,1-5H3
InChIKeyUNYQQJPHZUULSE-UHFFFAOYSA-N
XLogP3.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
CID 78937591
3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine
CID 39247651
3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile
CID 82044392
N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417
2-methyl-3-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]propanoic acid
CID 82514550
1-[4-(bromomethyl)phenyl]-3,4,5-trimethylpyrazole
CID 107085891
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 62130370
2-chloro-4-(3,4,5-trimethylpyrazol-1-yl)aniline
CID 82513276
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 62128723
(1R)-1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 63369059
2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)benzenethiol
CID 118409303
1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole
CID 118236588

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole?
The IUPAC name of 3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole (CID 166116933) is 3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole.
What is the SMILES notation for 3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole?
The canonical SMILES for 3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole is Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole?
The InChIKey is UNYQQJPHZUULSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10(2)14-6-8-15(9-7-14)17-13(5)11(3)12(4)16-17/h6-10H,1-5H3.
What are the key properties of 3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole?
3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole has a molecular weight of 228.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole is sourced from PubChem (CID 166116933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).