1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine

C12H13F3N4 — CID 23298779

IUPAC1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine
SMILESCCn1nc(N)c(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N4/c1-2-19-10(9(16)11(17)18-19)7-4-3-5-8(6-7)12(13,14)15/h3-6H,2,16H2,1H3,(H2,17,18)
InChIKeyJJFGZNSGORCCCX-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.75
Rot. Bonds2

About 1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine

1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine (PubChem CID 23298779) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine
PubChem CID23298779
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine
SMILESCCn1nc(N)c(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N4/c1-2-19-10(9(16)11(17)18-19)7-4-3-5-8(6-7)12(13,14)15/h3-6H,2,16H2,1H3,(H2,17,18)
InChIKeyJJFGZNSGORCCCX-UHFFFAOYSA-N
XLogP2.75
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine?
The IUPAC name of 1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine (CID 23298779) is 1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine.
What is the SMILES notation for 1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine?
The canonical SMILES for 1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine is CCn1nc(N)c(N)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine?
The InChIKey is JJFGZNSGORCCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-2-19-10(9(16)11(17)18-19)7-4-3-5-8(6-7)12(13,14)15/h3-6H,2,16H2,1H3,(H2,17,18).
What are the key properties of 1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine?
1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine has a molecular weight of 270.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine is sourced from PubChem (CID 23298779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).