5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine

C10H16F3N3 — CID 115921335

IUPAC5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NC(C)CC(F)(F)F)c1C
InChIInChI=1S/C10H16F3N3/c1-4-8-7(3)9(16-15-8)14-6(2)5-10(11,12)13/h6H,4-5H2,1-3H3,(H2,14,15,16)
InChIKeyPDFHGZXOXOISJZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.03
Rot. Bonds4

About 5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine

5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine (PubChem CID 115921335) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine
PubChem CID115921335
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NC(C)CC(F)(F)F)c1C
InChIInChI=1S/C10H16F3N3/c1-4-8-7(3)9(16-15-8)14-6(2)5-10(11,12)13/h6H,4-5H2,1-3H3,(H2,14,15,16)
InChIKeyPDFHGZXOXOISJZ-UHFFFAOYSA-N
XLogP3.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine (CID 115921335) is 5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine is CCc1[nH]nc(NC(C)CC(F)(F)F)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is PDFHGZXOXOISJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-4-8-7(3)9(16-15-8)14-6(2)5-10(11,12)13/h6H,4-5H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine?
5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 235.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115921335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).