2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine

C13H14F3N3O — CID 70798101

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine
SMILESCC(C)Oc1ccc(-c2cc(C(F)(F)F)nn2C)nc1
InChIInChI=1S/C13H14F3N3O/c1-8(2)20-9-4-5-10(17-7-9)11-6-12(13(14,15)16)18-19(11)3/h4-8H,1-3H3
InChIKeyTWMLLGTYUOVPPX-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.29
Rot. Bonds3

About 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine (PubChem CID 70798101) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine
PubChem CID70798101
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine
SMILESCC(C)Oc1ccc(-c2cc(C(F)(F)F)nn2C)nc1
InChIInChI=1S/C13H14F3N3O/c1-8(2)20-9-4-5-10(17-7-9)11-6-12(13(14,15)16)18-19(11)3/h4-8H,1-3H3
InChIKeyTWMLLGTYUOVPPX-UHFFFAOYSA-N
XLogP3.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072633
2-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24824062
5-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466375
3-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466457
5-[(4-fluorophenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790628
(3S)-N,N-dimethyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-sulfonamide
CID 155790733
1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone
CID 155790750
2-[(2,6-Difluorophenyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 71105372
US11365192, Example 59-1
CID 142526587
US11365192, Example 1-2
CID 155790757
US11365192, Example 59-2
CID 156323988
2-[3,5-Diethyl-4-[(5-methyl-3-pyridyl)oxy]pyrazol-1-yl]ethanol
CID 45486829

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine (CID 70798101) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine is CC(C)Oc1ccc(-c2cc(C(F)(F)F)nn2C)nc1.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine?
The InChIKey is TWMLLGTYUOVPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8(2)20-9-4-5-10(17-7-9)11-6-12(13(14,15)16)18-19(11)3/h4-8H,1-3H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine has a molecular weight of 285.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine is sourced from PubChem (CID 70798101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).