1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine

C13H19F2N5 — CID 122167209

IUPAC1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
SMILESCC(C)Cn1cc(CNCc2ccnn2C(F)F)cn1
InChIInChI=1S/C13H19F2N5/c1-10(2)8-19-9-11(6-18-19)5-16-7-12-3-4-17-20(12)13(14)15/h3-4,6,9-10,13,16H,5,7-8H2,1-2H3
InChIKeyZWMLSIRRYUUQEY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.42
Rot. Bonds7

About 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine

1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine (PubChem CID 122167209) has the molecular formula C13H19F2N5 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
PubChem CID122167209
Molecular FormulaC13H19F2N5
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
SMILESCC(C)Cn1cc(CNCc2ccnn2C(F)F)cn1
InChIInChI=1S/C13H19F2N5/c1-10(2)8-19-9-11(6-18-19)5-16-7-12-3-4-17-20(12)13(14)15/h3-4,6,9-10,13,16H,5,7-8H2,1-2H3
InChIKeyZWMLSIRRYUUQEY-UHFFFAOYSA-N
XLogP2.42
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine 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-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine (CID 122167209) is 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine is CC(C)Cn1cc(CNCc2ccnn2C(F)F)cn1.
What is the InChIKey of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine?
The InChIKey is ZWMLSIRRYUUQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5/c1-10(2)8-19-9-11(6-18-19)5-16-7-12-3-4-17-20(12)13(14)15/h3-4,6,9-10,13,16H,5,7-8H2,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine?
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 122167209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).