4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

C13H14F3N3 — CID 79405067

IUPAC4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3/c1-2-4-10-11(18-19-12(10)17)8-5-3-6-9(7-8)13(14,15)16/h3,5-7H,2,4H2,1H3,(H3,17,18,19)
InChIKeyFLVMVDZAJPFRSL-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.63
Rot. Bonds3

About 4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 79405067) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID79405067
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3/c1-2-4-10-11(18-19-12(10)17)8-5-3-6-9(7-8)13(14,15)16/h3,5-7H,2,4H2,1H3,(H3,17,18,19)
InChIKeyFLVMVDZAJPFRSL-UHFFFAOYSA-N
XLogP3.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (CID 79405067) is 4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is CCCc1c(N)n[nH]c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is FLVMVDZAJPFRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-2-4-10-11(18-19-12(10)17)8-5-3-6-9(7-8)13(14,15)16/h3,5-7H,2,4H2,1H3,(H3,17,18,19).
What are the key properties of 4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 269.27 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 79405067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).