5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine

C10H12F3N5 — CID 19576915

IUPAC5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine
SMILESCc1cc(N)nn1Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C10H12F3N5/c1-6-3-8(10(11,12)13)15-17(6)5-18-7(2)4-9(14)16-18/h3-4H,5H2,1-2H3,(H2,14,16)
InChIKeyCAMUQVGVMQSONY-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.80
Rot. Bonds2

About 5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine

5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine (PubChem CID 19576915) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is 5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine
PubChem CID19576915
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine
SMILESCc1cc(N)nn1Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C10H12F3N5/c1-6-3-8(10(11,12)13)15-17(6)5-18-7(2)4-9(14)16-18/h3-4H,5H2,1-2H3,(H2,14,16)
InChIKeyCAMUQVGVMQSONY-UHFFFAOYSA-N
XLogP1.80
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine (CID 19576915) is 5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine is Cc1cc(N)nn1Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of 5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine?
The InChIKey is CAMUQVGVMQSONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-6-3-8(10(11,12)13)15-17(6)5-18-7(2)4-9(14)16-18/h3-4H,5H2,1-2H3,(H2,14,16).
What are the key properties of 5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine?
5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine has a molecular weight of 259.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 19576915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).