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

C16H19F3N2 — CID 146165853

IUPAC3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1nn(CC(F)(F)F)c(C)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H19F3N2/c1-10(2)13-5-7-14(8-6-13)15-11(3)20-21(12(15)4)9-16(17,18)19/h5-8,10H,9H2,1-4H3
InChIKeyJIEAKRKPXSNWJN-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.85
Rot. Bonds3

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

3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 146165853) has the molecular formula C16H19F3N2 and a molecular weight of 296.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID146165853
Molecular FormulaC16H19F3N2
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1nn(CC(F)(F)F)c(C)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H19F3N2/c1-10(2)13-5-7-14(8-6-13)15-11(3)20-21(12(15)4)9-16(17,18)19/h5-8,10H,9H2,1-4H3
InChIKeyJIEAKRKPXSNWJN-UHFFFAOYSA-N
XLogP4.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

AS-19
CID 23642275
Difenzoquat
CID 39425
3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
E-55888
CID 24825775
2-Isopropyl-3-p-tolyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11323169
Fezolamine
CID 54567
1-Methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 2740916
3-Cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 3659088
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
3-(4-Fluoro-phenyl)-2-isopropyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11391654
2-Isopropyl-3-(4-trifluoromethyl-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11393128

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 146165853) is 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole is Cc1nn(CC(F)(F)F)c(C)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is JIEAKRKPXSNWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2/c1-10(2)13-5-7-14(8-6-13)15-11(3)20-21(12(15)4)9-16(17,18)19/h5-8,10H,9H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 296.34 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 146165853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).