2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine

C19H19F2N5O — CID 141432486

IUPAC2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine
SMILESCCOc1cc(F)c(Cn2nc(-c3ncncn3)c(C)c2C2CC2)c(F)c1
InChIInChI=1S/C19H19F2N5O/c1-3-27-13-6-15(20)14(16(21)7-13)8-26-18(12-4-5-12)11(2)17(25-26)19-23-9-22-10-24-19/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyAJFIERHLWWAUCD-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.65
Rot. Bonds6

About 2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine

2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine (PubChem CID 141432486) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine
PubChem CID141432486
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine
SMILESCCOc1cc(F)c(Cn2nc(-c3ncncn3)c(C)c2C2CC2)c(F)c1
InChIInChI=1S/C19H19F2N5O/c1-3-27-13-6-15(20)14(16(21)7-13)8-26-18(12-4-5-12)11(2)17(25-26)19-23-9-22-10-24-19/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyAJFIERHLWWAUCD-UHFFFAOYSA-N
XLogP3.65
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-4-N,6-N-di(pyrimidin-4-yl)pyrimidine-4,6-diamine
CID 86567950
ethyl 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 71612141
1-cyclohexyl-3-[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]urea
CID 86567915
4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide
CID 136602103
N-[3-[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxypropylidene-methyl-oxo-λ6-sulfanyl]-2,2,2-trifluoroacetamide
CID 123703414
5-[5-[(1Z)-buta-1,3-dienyl]-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-amine
CID 129253136
1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-[ethyl(methyl)amino]-4-methylpyrazole-3-carboximidamide
CID 123453137
3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole
CID 118875147
3-[4-chloro-6-(oxolan-2-yl)pyrimidin-2-yl]-1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazole
CID 118972197
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-morpholin-4-yl-4-N,6-N-di(pyrimidin-4-yl)pyrimidine-4,6-diamine
CID 118877151
3-bromo-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridine
CID 130437935
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxypyrimidin-4-amine
CID 90012678

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine?
The IUPAC name of 2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine (CID 141432486) is 2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine is CCOc1cc(F)c(Cn2nc(-c3ncncn3)c(C)c2C2CC2)c(F)c1.
What is the InChIKey of 2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine?
The InChIKey is AJFIERHLWWAUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-3-27-13-6-15(20)14(16(21)7-13)8-26-18(12-4-5-12)11(2)17(25-26)19-23-9-22-10-24-19/h6-7,9-10,12H,3-5,8H2,1-2H3.
What are the key properties of 2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine?
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine has a molecular weight of 371.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-1,3,5-triazine is sourced from PubChem (CID 141432486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).