6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

C18H15F6N5O — CID 118101423

IUPAC6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESCCn1nc(C(F)(F)F)c(-c2cncc(Nc3ccc(OC(F)(F)F)cc3)n2)c1C
InChIInChI=1S/C18H15F6N5O/c1-3-29-10(2)15(16(28-29)17(19,20)21)13-8-25-9-14(27-13)26-11-4-6-12(7-5-11)30-18(22,23)24/h4-9H,3H2,1-2H3,(H,26,27)
InChIKeyRRHMJTYHVGYDNE-UHFFFAOYSA-N
MW431.34 g/mol
LogP5.33
Rot. Bonds5

About 6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine (PubChem CID 118101423) has the molecular formula C18H15F6N5O and a molecular weight of 431.34 g/mol. Its IUPAC name is 6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
PubChem CID118101423
Molecular FormulaC18H15F6N5O
Molecular Weight431.34 g/mol
Exact Mass431.12
IUPAC Name6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESCCn1nc(C(F)(F)F)c(-c2cncc(Nc3ccc(OC(F)(F)F)cc3)n2)c1C
InChIInChI=1S/C18H15F6N5O/c1-3-29-10(2)15(16(28-29)17(19,20)21)13-8-25-9-14(27-13)26-11-4-6-12(7-5-11)30-18(22,23)24/h4-9H,3H2,1-2H3,(H,26,27)
InChIKeyRRHMJTYHVGYDNE-UHFFFAOYSA-N
XLogP5.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Disubstituted Pyrimidine 2g
CID 5329420
1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093249
(10) 1H-1,2,4-triazol-3-yl-anilines 4-F3CO(C6H4) 4-Pyridine
CID 57339841
5-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1460771
N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263415
N-(4-methoxyphenyl)-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridin-4-amine
CID 658874
6-(pyridin-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 11381980
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(pyridin-4-ylmethoxy)-phenyl]-urea
CID 17941464
1-tert-butyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 42633305
1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 42633306
N-(4-(trifluoromethoxy)phenyl)-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)pyrimidin-4-amine
CID 42635093
US9670214, Table 16.41
CID 42635814

Frequently Asked Questions

What is the IUPAC name of 6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine (CID 118101423) is 6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine is CCn1nc(C(F)(F)F)c(-c2cncc(Nc3ccc(OC(F)(F)F)cc3)n2)c1C.
What is the InChIKey of 6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The InChIKey is RRHMJTYHVGYDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N5O/c1-3-29-10(2)15(16(28-29)17(19,20)21)13-8-25-9-14(27-13)26-11-4-6-12(7-5-11)30-18(22,23)24/h4-9H,3H2,1-2H3,(H,26,27).
What are the key properties of 6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine?
6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine has a molecular weight of 431.34 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118101423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).