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

C10H12F3N5 — CID 19626302

IUPAC2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
SMILESCn1nccc1NCc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C10H12F3N5/c1-17-8(10(11,12)13)5-7(16-17)6-14-9-3-4-15-18(9)2/h3-5,14H,6H2,1-2H3
InChIKeyJMEVHMHEDYQTFY-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.78
Rot. Bonds3

About 2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine

2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine (PubChem CID 19626302) has the molecular formula C10H12F3N5 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
PubChem CID19626302
Molecular FormulaC10H12F3N5
Molecular Weight259.23 g/mol
Exact Mass259.10
IUPAC Name2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
SMILESCn1nccc1NCc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C10H12F3N5/c1-17-8(10(11,12)13)5-7(16-17)6-14-9-3-4-15-18(9)2/h3-5,14H,6H2,1-2H3
InChIKeyJMEVHMHEDYQTFY-UHFFFAOYSA-N
XLogP1.78
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
The IUPAC name of 2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine (CID 19626302) is 2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine is Cn1nccc1NCc1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of 2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
The InChIKey is JMEVHMHEDYQTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-17-8(10(11,12)13)5-7(16-17)6-14-9-3-4-15-18(9)2/h3-5,14H,6H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine has a molecular weight of 259.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 19626302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).