5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine

C13H15F2N3O — CID 63048481

IUPAC5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2ccc(OC(F)F)cc2)[nH]n1
InChIInChI=1S/C13H15F2N3O/c1-2-7-16-12-8-11(17-18-12)9-3-5-10(6-4-9)19-13(14)15/h3-6,8,13H,2,7H2,1H3,(H2,16,17,18)
InChIKeyNUBOGCYPASZOHD-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.50
Rot. Bonds6

About 5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine

5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine (PubChem CID 63048481) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine
PubChem CID63048481
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2ccc(OC(F)F)cc2)[nH]n1
InChIInChI=1S/C13H15F2N3O/c1-2-7-16-12-8-11(17-18-12)9-3-5-10(6-4-9)19-13(14)15/h3-6,8,13H,2,7H2,1H3,(H2,16,17,18)
InChIKeyNUBOGCYPASZOHD-UHFFFAOYSA-N
XLogP3.50
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-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 5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine (CID 63048481) is 5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine is CCCNc1cc(-c2ccc(OC(F)F)cc2)[nH]n1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine?
The InChIKey is NUBOGCYPASZOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-2-7-16-12-8-11(17-18-12)9-3-5-10(6-4-9)19-13(14)15/h3-6,8,13H,2,7H2,1H3,(H2,16,17,18).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine?
5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine has a molecular weight of 267.28 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-N-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63048481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).