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

C13H15F3N4 — CID 23298773

IUPAC1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine
SMILESCCCn1nc(N)c(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N4/c1-2-6-20-11(10(17)12(18)19-20)8-4-3-5-9(7-8)13(14,15)16/h3-5,7H,2,6,17H2,1H3,(H2,18,19)
InChIKeyUKDSDCNBNLUOSD-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.14
Rot. Bonds3

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

1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine (PubChem CID 23298773) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine
PubChem CID23298773
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine
SMILESCCCn1nc(N)c(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N4/c1-2-6-20-11(10(17)12(18)19-20)8-4-3-5-9(7-8)13(14,15)16/h3-5,7H,2,6,17H2,1H3,(H2,18,19)
InChIKeyUKDSDCNBNLUOSD-UHFFFAOYSA-N
XLogP3.14
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine?
The IUPAC name of 1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine (CID 23298773) is 1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine.
What is the SMILES notation for 1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine?
The canonical SMILES for 1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine is CCCn1nc(N)c(N)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine?
The InChIKey is UKDSDCNBNLUOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-2-6-20-11(10(17)12(18)19-20)8-4-3-5-9(7-8)13(14,15)16/h3-5,7H,2,6,17H2,1H3,(H2,18,19).
What are the key properties of 1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine?
1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine has a molecular weight of 284.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine is sourced from PubChem (CID 23298773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).