N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine

C11H19F3N4 — CID 118360193

IUPACN,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine
SMILESCC(C)NC(NC(C)C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H19F3N4/c1-7(2)15-10(16-8(3)4)18-6-5-9(17-18)11(12,13)14/h5-8,10,15-16H,1-4H3
InChIKeyAZSPIPXDECWPKI-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.35
Rot. Bonds5

About N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine

N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine (PubChem CID 118360193) has the molecular formula C11H19F3N4 and a molecular weight of 264.30 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine
PubChem CID118360193
Molecular FormulaC11H19F3N4
Molecular Weight264.30 g/mol
Exact Mass264.16
IUPAC NameN,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine
SMILESCC(C)NC(NC(C)C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H19F3N4/c1-7(2)15-10(16-8(3)4)18-6-5-9(17-18)11(12,13)14/h5-8,10,15-16H,1-4H3
InChIKeyAZSPIPXDECWPKI-UHFFFAOYSA-N
XLogP2.35
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine 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 N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine?
The IUPAC name of N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine (CID 118360193) is N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine.
What is the SMILES notation for N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine?
The canonical SMILES for N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine is CC(C)NC(NC(C)C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine?
The InChIKey is AZSPIPXDECWPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-7(2)15-10(16-8(3)4)18-6-5-9(17-18)11(12,13)14/h5-8,10,15-16H,1-4H3.
What are the key properties of N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine?
N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine has a molecular weight of 264.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]methanediamine is sourced from PubChem (CID 118360193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).