1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole

C14H15F3N2 — CID 58981710

IUPAC1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCC(C)Cn1cc(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C14H15F3N2/c1-10(2)8-19-9-12(7-18-19)11-3-5-13(6-4-11)14(15,16)17/h3-7,9-10H,8H2,1-2H3
InChIKeyVBANLZPWOQZPTJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.22
Rot. Bonds3

About 1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole

1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 58981710) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID58981710
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCC(C)Cn1cc(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C14H15F3N2/c1-10(2)8-19-9-12(7-18-19)11-3-5-13(6-4-11)14(15,16)17/h3-7,9-10H,8H2,1-2H3
InChIKeyVBANLZPWOQZPTJ-UHFFFAOYSA-N
XLogP4.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole (CID 58981710) is 1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole is CC(C)Cn1cc(-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is VBANLZPWOQZPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-10(2)8-19-9-12(7-18-19)11-3-5-13(6-4-11)14(15,16)17/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole?
1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 268.28 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 58981710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).