5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine

C11H11F2N3O — CID 144962996

IUPAC5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine
SMILESCc1ccc(OC(F)F)c(-c2[nH]ncc2N)c1
InChIInChI=1S/C11H11F2N3O/c1-6-2-3-9(17-11(12)13)7(4-6)10-8(14)5-15-16-10/h2-5,11H,14H2,1H3,(H,15,16)
InChIKeyPGBXIWGHBXWQIH-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.57
Rot. Bonds3

About 5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine

5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine (PubChem CID 144962996) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine
PubChem CID144962996
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine
SMILESCc1ccc(OC(F)F)c(-c2[nH]ncc2N)c1
InChIInChI=1S/C11H11F2N3O/c1-6-2-3-9(17-11(12)13)7(4-6)10-8(14)5-15-16-10/h2-5,11H,14H2,1H3,(H,15,16)
InChIKeyPGBXIWGHBXWQIH-UHFFFAOYSA-N
XLogP2.57
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine?
The IUPAC name of 5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine (CID 144962996) is 5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine is Cc1ccc(OC(F)F)c(-c2[nH]ncc2N)c1.
What is the InChIKey of 5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine?
The InChIKey is PGBXIWGHBXWQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-6-2-3-9(17-11(12)13)7(4-6)10-8(14)5-15-16-10/h2-5,11H,14H2,1H3,(H,15,16).
What are the key properties of 5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine?
5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine has a molecular weight of 239.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 144962996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).