2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine

C12H14F3N3 — CID 90078631

IUPAC2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine
SMILESCC(C)C1=NN(c2ccccn2)C(C(F)(F)F)C1
InChIInChI=1S/C12H14F3N3/c1-8(2)9-7-10(12(13,14)15)18(17-9)11-5-3-4-6-16-11/h3-6,8,10H,7H2,1-2H3
InChIKeyANJUBGHQPSJLNS-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.23
Rot. Bonds2

About 2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine

2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine (PubChem CID 90078631) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine
PubChem CID90078631
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine
SMILESCC(C)C1=NN(c2ccccn2)C(C(F)(F)F)C1
InChIInChI=1S/C12H14F3N3/c1-8(2)9-7-10(12(13,14)15)18(17-9)11-5-3-4-6-16-11/h3-6,8,10H,7H2,1-2H3
InChIKeyANJUBGHQPSJLNS-UHFFFAOYSA-N
XLogP3.23
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine
CID 169176847
ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole
CID 153380641
3,4-dimethyl-1-[2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]pyrrole-2,5-dione
CID 134255382
2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine
CID 155406104
1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 5311542
2-(3-pyridin-2-yl-2H-imidazol-1-yl)pyridine;hydrochloride
CID 173112837
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
CID 166470570
6-tert-butyl-4-methyl-1-pyridin-2-ylpiperidine-3-carbonitrile
CID 142683789
2-(4-propan-2-ylpyrazol-1-yl)pyridine
CID 58142776
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101

Frequently Asked Questions

What is the IUPAC name of 2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine?
The IUPAC name of 2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine (CID 90078631) is 2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine.
What is the SMILES notation for 2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine?
The canonical SMILES for 2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine is CC(C)C1=NN(c2ccccn2)C(C(F)(F)F)C1.
What is the InChIKey of 2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine?
The InChIKey is ANJUBGHQPSJLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-8(2)9-7-10(12(13,14)15)18(17-9)11-5-3-4-6-16-11/h3-6,8,10H,7H2,1-2H3.
What are the key properties of 2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine?
2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine has a molecular weight of 257.26 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]pyridine is sourced from PubChem (CID 90078631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).