1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine

C10H16F4N4 — CID 106289804

IUPAC1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCC(F)(F)C(F)F)c1N
InChIInChI=1S/C10H16F4N4/c1-3-4-6-7(15)8(18(2)17-6)16-5-10(13,14)9(11)12/h9,16H,3-5,15H2,1-2H3
InChIKeyGNIFKDYEXYAWIB-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.27
Rot. Bonds6

About 1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine

1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine (PubChem CID 106289804) has the molecular formula C10H16F4N4 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine
PubChem CID106289804
Molecular FormulaC10H16F4N4
Molecular Weight268.26 g/mol
Exact Mass268.13
IUPAC Name1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCC(F)(F)C(F)F)c1N
InChIInChI=1S/C10H16F4N4/c1-3-4-6-7(15)8(18(2)17-6)16-5-10(13,14)9(11)12/h9,16H,3-5,15H2,1-2H3
InChIKeyGNIFKDYEXYAWIB-UHFFFAOYSA-N
XLogP2.27
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-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 1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine (CID 106289804) is 1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine is CCCc1nn(C)c(NCC(F)(F)C(F)F)c1N.
What is the InChIKey of 1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine?
The InChIKey is GNIFKDYEXYAWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N4/c1-3-4-6-7(15)8(18(2)17-6)16-5-10(13,14)9(11)12/h9,16H,3-5,15H2,1-2H3.
What are the key properties of 1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine?
1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine has a molecular weight of 268.26 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 106289804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).