3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine

C14H17F2N3O — CID 79405300

IUPAC3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2cccc(OC(F)F)c2)nn(C)c1N
InChIInChI=1S/C14H17F2N3O/c1-3-5-11-12(18-19(2)13(11)17)9-6-4-7-10(8-9)20-14(15)16/h4,6-8,14H,3,5,17H2,1-2H3
InChIKeyGFAQJRIHDABMEU-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.22
Rot. Bonds5

About 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine

3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine (PubChem CID 79405300) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine
PubChem CID79405300
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2cccc(OC(F)F)c2)nn(C)c1N
InChIInChI=1S/C14H17F2N3O/c1-3-5-11-12(18-19(2)13(11)17)9-6-4-7-10(8-9)20-14(15)16/h4,6-8,14H,3,5,17H2,1-2H3
InChIKeyGFAQJRIHDABMEU-UHFFFAOYSA-N
XLogP3.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine 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 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine (CID 79405300) is 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine is CCCc1c(-c2cccc(OC(F)F)c2)nn(C)c1N.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine?
The InChIKey is GFAQJRIHDABMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-3-5-11-12(18-19(2)13(11)17)9-6-4-7-10(8-9)20-14(15)16/h4,6-8,14H,3,5,17H2,1-2H3.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine?
3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine has a molecular weight of 281.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-1-methyl-4-propylpyrazol-5-amine is sourced from PubChem (CID 79405300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).