5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine

C5H6F3N3 — CID 17024655

IUPAC5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine
SMILESCc1[nH]nc(C(F)(F)F)c1N
InChIInChI=1S/C5H6F3N3/c1-2-3(9)4(11-10-2)5(6,7)8/h9H2,1H3,(H,10,11)
InChIKeyFWESVKQTXZFZAH-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.32
Rot. Bonds

About 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine

5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine (PubChem CID 17024655) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine
PubChem CID17024655
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine
SMILESCc1[nH]nc(C(F)(F)F)c1N
InChIInChI=1S/C5H6F3N3/c1-2-3(9)4(11-10-2)5(6,7)8/h9H2,1H3,(H,10,11)
InChIKeyFWESVKQTXZFZAH-UHFFFAOYSA-N
XLogP1.32
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine?
The IUPAC name of 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine (CID 17024655) is 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine is Cc1[nH]nc(C(F)(F)F)c1N.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine?
The InChIKey is FWESVKQTXZFZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c1-2-3(9)4(11-10-2)5(6,7)8/h9H2,1H3,(H,10,11).
What are the key properties of 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine?
5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine has a molecular weight of 165.12 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 17024655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).