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

C10H9F2N3O — CID 61393208

IUPAC4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H9F2N3O/c11-10(12)16-7-3-1-6(2-4-7)8-5-14-15-9(8)13/h1-5,10H,(H3,13,14,15)
InChIKeyJTKNEAXDAOBQME-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.26
Rot. Bonds3

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

4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine (PubChem CID 61393208) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
PubChem CID61393208
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H9F2N3O/c11-10(12)16-7-3-1-6(2-4-7)8-5-14-15-9(8)13/h1-5,10H,(H3,13,14,15)
InChIKeyJTKNEAXDAOBQME-UHFFFAOYSA-N
XLogP2.26
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine (CID 61393208) is 4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The InChIKey is JTKNEAXDAOBQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-10(12)16-7-3-1-6(2-4-7)8-5-14-15-9(8)13/h1-5,10H,(H3,13,14,15).
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine?
4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine has a molecular weight of 225.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 61393208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).