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

C9H10F3N5 — CID 19626465

IUPAC1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
SMILESCn1ccc(NCc2cc(C(F)(F)F)n[nH]2)n1
InChIInChI=1S/C9H10F3N5/c1-17-3-2-8(16-17)13-5-6-4-7(15-14-6)9(10,11)12/h2-4H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyYXTNELLIXDFFAE-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.77
Rot. Bonds3

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

1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine (PubChem CID 19626465) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
PubChem CID19626465
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine
SMILESCn1ccc(NCc2cc(C(F)(F)F)n[nH]2)n1
InChIInChI=1S/C9H10F3N5/c1-17-3-2-8(16-17)13-5-6-4-7(15-14-6)9(10,11)12/h2-4H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyYXTNELLIXDFFAE-UHFFFAOYSA-N
XLogP1.77
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine (CID 19626465) is 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine is Cn1ccc(NCc2cc(C(F)(F)F)n[nH]2)n1.
What is the InChIKey of 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
The InChIKey is YXTNELLIXDFFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-17-3-2-8(16-17)13-5-6-4-7(15-14-6)9(10,11)12/h2-4H,5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine?
1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine has a molecular weight of 245.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 19626465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).