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

C10H12F3N5 — CID 19626300

IUPAC1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
SMILESCn1ccc(NCc2cc(C(F)(F)F)n(C)n2)n1
InChIInChI=1S/C10H12F3N5/c1-17-4-3-9(16-17)14-6-7-5-8(10(11,12)13)18(2)15-7/h3-5H,6H2,1-2H3,(H,14,16)
InChIKeyDQLCQTGOWCWERB-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.78
Rot. Bonds3

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

1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine (PubChem CID 19626300) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
PubChem CID19626300
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
SMILESCn1ccc(NCc2cc(C(F)(F)F)n(C)n2)n1
InChIInChI=1S/C10H12F3N5/c1-17-4-3-9(16-17)14-6-7-5-8(10(11,12)13)18(2)15-7/h3-5H,6H2,1-2H3,(H,14,16)
InChIKeyDQLCQTGOWCWERB-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 ≤ 500259.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine (CID 19626300) is 1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine is Cn1ccc(NCc2cc(C(F)(F)F)n(C)n2)n1.
What is the InChIKey of 1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
The InChIKey is DQLCQTGOWCWERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-17-4-3-9(16-17)14-6-7-5-8(10(11,12)13)18(2)15-7/h3-5H,6H2,1-2H3,(H,14,16).
What are the key properties of 1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine has a molecular weight of 259.24 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 1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 19626300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).