5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine

C21H20F3N3O2 — CID 118430462

IUPAC5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O2/c1-3-28-20-19(29-17-9-7-16(8-10-17)21(22,23)24)13(2)27(26-20)18-11-6-15(12-25-18)14-4-5-14/h6-12,14H,3-5H2,1-2H3
InChIKeyFRSRWYYAZYCRFY-UHFFFAOYSA-N
MW403.40 g/mol
LogP5.66
Rot. Bonds6

About 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine

5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine (PubChem CID 118430462) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine
PubChem CID118430462
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O2/c1-3-28-20-19(29-17-9-7-16(8-10-17)21(22,23)24)13(2)27(26-20)18-11-6-15(12-25-18)14-4-5-14/h6-12,14H,3-5H2,1-2H3
InChIKeyFRSRWYYAZYCRFY-UHFFFAOYSA-N
XLogP5.66
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.40
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dhodh-IN-1
CID 118430456
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
CID 118430570
3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine
CID 46870016
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 24774753
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430565
3-Cyclopropyl-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine
CID 118430682
4-{[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy}-2-methyl-5-(1-methyl-1H-pyrazol-4-yl)pyrimidine
CID 71061106
4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methyl-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)pyrimidine
CID 76284283
2-(4-(2,6-difluorophenoxy)-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl)pyrimidine
CID 118430649
7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 24774839

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine?
The IUPAC name of 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine (CID 118430462) is 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine?
The canonical SMILES for 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine is CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine?
The InChIKey is FRSRWYYAZYCRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-3-28-20-19(29-17-9-7-16(8-10-17)21(22,23)24)13(2)27(26-20)18-11-6-15(12-25-18)14-4-5-14/h6-12,14H,3-5H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine?
5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine has a molecular weight of 403.40 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine is sourced from PubChem (CID 118430462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).