N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine

C9H16F2N4 — CID 115406237

IUPACN-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1c(C(CN)NCC(F)F)cnn1C
InChIInChI=1S/C9H16F2N4/c1-6-7(4-14-15(6)2)8(3-12)13-5-9(10)11/h4,8-9,13H,3,5,12H2,1-2H3
InChIKeyQFGNKHNMOWYVEC-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.58
Rot. Bonds5

About N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine

N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 115406237) has the molecular formula C9H16F2N4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID115406237
Molecular FormulaC9H16F2N4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1c(C(CN)NCC(F)F)cnn1C
InChIInChI=1S/C9H16F2N4/c1-6-7(4-14-15(6)2)8(3-12)13-5-9(10)11/h4,8-9,13H,3,5,12H2,1-2H3
InChIKeyQFGNKHNMOWYVEC-UHFFFAOYSA-N
XLogP0.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine 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-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine (CID 115406237) is N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine is Cc1c(C(CN)NCC(F)F)cnn1C.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is QFGNKHNMOWYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4/c1-6-7(4-14-15(6)2)8(3-12)13-5-9(10)11/h4,8-9,13H,3,5,12H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine?
N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 218.25 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115406237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).