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

C19H19F3N4O2 — CID 118430466

IUPAC2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine
SMILESCCOc1nn(-c2ncc(CC)cn2)c(C)c1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N4O2/c1-4-13-10-23-18(24-11-13)26-12(3)16(17(25-26)27-5-2)28-15-8-6-14(7-9-15)19(20,21)22/h6-11H,4-5H2,1-3H3
InChIKeyUHQLZMBELSJPQT-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.74
Rot. Bonds6

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

2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine (PubChem CID 118430466) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine
PubChem CID118430466
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine
SMILESCCOc1nn(-c2ncc(CC)cn2)c(C)c1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N4O2/c1-4-13-10-23-18(24-11-13)26-12(3)16(17(25-26)27-5-2)28-15-8-6-14(7-9-15)19(20,21)22/h6-11H,4-5H2,1-3H3
InChIKeyUHQLZMBELSJPQT-UHFFFAOYSA-N
XLogP4.74
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
Dhodh-IN-1
CID 118430456
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
CID 118430570
4-[(4-Cyano-2-fluorophenoxy)methyl]-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrazole-5-carbonitrile
CID 67633261
hDHODH-IN-3
CID 118430627
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
6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl 4-methylphenyl ether
CID 850309
Ipp/cnrs-A019
CID 118430525
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine
CID 118430537
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine
CID 118430651
2-(4-Methylphenoxy)ethyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2109911

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine?
The IUPAC name of 2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine (CID 118430466) is 2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine?
The canonical SMILES for 2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine is CCOc1nn(-c2ncc(CC)cn2)c(C)c1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine?
The InChIKey is UHQLZMBELSJPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-4-13-10-23-18(24-11-13)26-12(3)16(17(25-26)27-5-2)28-15-8-6-14(7-9-15)19(20,21)22/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine?
2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine has a molecular weight of 392.38 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]-5-ethylpyrimidine is sourced from PubChem (CID 118430466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).