1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine

C10H12F3N5 — CID 66012292

IUPAC1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3N5/c1-3-17-9(8(14)6(2)16-17)18-5-7(4-15-18)10(11,12)13/h4-5H,3,14H2,1-2H3
InChIKeyDNJRSPMRZQQJEJ-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.00
Rot. Bonds2

About 1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine

1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine (PubChem CID 66012292) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
PubChem CID66012292
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3N5/c1-3-17-9(8(14)6(2)16-17)18-5-7(4-15-18)10(11,12)13/h4-5H,3,14H2,1-2H3
InChIKeyDNJRSPMRZQQJEJ-UHFFFAOYSA-N
XLogP2.00
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chloro-3-methylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine
CID 66012487
5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine
CID 66011902
1-ethyl-3-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine
CID 66011317
1-ethyl-3-methyl-5-piperidin-1-ylpyrazol-4-amine
CID 66012579
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662
5-N-[2-chloro-4-(trifluoromethyl)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66010914
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
1-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 19623304
3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine
CID 102988586
3-(trifluoromethyl)-5-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 82995990
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 114092970
2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 113392793

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine (CID 66012292) is 1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine is CCn1nc(C)c(N)c1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of 1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The InChIKey is DNJRSPMRZQQJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-3-17-9(8(14)6(2)16-17)18-5-7(4-15-18)10(11,12)13/h4-5H,3,14H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine has a molecular weight of 259.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66012292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).