5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine

C9H16F2N4 — CID 115405451

IUPAC5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCC(F)F)c1N
InChIInChI=1S/C9H16F2N4/c1-3-4-6-8(12)9(15(2)14-6)13-5-7(10)11/h7,13H,3-5,12H2,1-2H3
InChIKeyGABQFQCBVWQPPQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.63
Rot. Bonds5

About 5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine

5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 115405451) has the molecular formula C9H16F2N4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID115405451
Molecular FormulaC9H16F2N4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCC(F)F)c1N
InChIInChI=1S/C9H16F2N4/c1-3-4-6-8(12)9(15(2)14-6)13-5-7(10)11/h7,13H,3-5,12H2,1-2H3
InChIKeyGABQFQCBVWQPPQ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-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 5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine (CID 115405451) is 5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NCC(F)F)c1N.
What is the InChIKey of 5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is GABQFQCBVWQPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4/c1-3-4-6-8(12)9(15(2)14-6)13-5-7(10)11/h7,13H,3-5,12H2,1-2H3.
What are the key properties of 5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 218.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 115405451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).