2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

C19H18F3N3O — CID 118430511

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCOc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H18F3N3O/c1-3-26-18-16(11-14-7-5-4-6-8-14)13(2)25(24-18)17-10-9-15(12-23-17)19(20,21)22/h4-10,12H,3,11H2,1-2H3
InChIKeyUSZFAANRZXAQFU-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.58
Rot. Bonds5

About 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 118430511) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID118430511
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCOc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H18F3N3O/c1-3-26-18-16(11-14-7-5-4-6-8-14)13(2)25(24-18)17-10-9-15(12-23-17)19(20,21)22/h4-10,12H,3,11H2,1-2H3
InChIKeyUSZFAANRZXAQFU-UHFFFAOYSA-N
XLogP4.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dhodh-IN-1
CID 118430456
5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
4-(3-methoxyphenyl)-2-(4-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 16193783
N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 10159318
1-(5-Methanesulfonyl-pyridin-2-yl)-5-(4-methylene-cyclohexylmethoxy)-3-trifluoromethyl-1H-pyrazole-4-carbonitrile
CID 10160441
3-(6-(4-Fluorobenzyloxy)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44158660
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430565
5-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)-2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidine
CID 90182205
6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl 4-methylphenyl ether
CID 850309
2-fluoro-6-[3-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine
CID 4271463
5-(2-methylcyclohexyloxy)-1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 44408354

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (CID 118430511) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is CCOc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is USZFAANRZXAQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-3-26-18-16(11-14-7-5-4-6-8-14)13(2)25(24-18)17-10-9-15(12-23-17)19(20,21)22/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 361.37 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 118430511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).