4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine

C11H11F2N3 — CID 117319243

IUPAC4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc(C(F)F)c2)c1N
InChIInChI=1S/C11H11F2N3/c1-16-11(14)9(6-15-16)7-3-2-4-8(5-7)10(12)13/h2-6,10H,14H2,1H3
InChIKeyOXVRLFFBIDZDDS-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.61
Rot. Bonds2

About 4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine

4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117319243) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117319243
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc(C(F)F)c2)c1N
InChIInChI=1S/C11H11F2N3/c1-16-11(14)9(6-15-16)7-3-2-4-8(5-7)10(12)13/h2-6,10H,14H2,1H3
InChIKeyOXVRLFFBIDZDDS-UHFFFAOYSA-N
XLogP2.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine (CID 117319243) is 4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine is Cn1ncc(-c2cccc(C(F)F)c2)c1N.
What is the InChIKey of 4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is OXVRLFFBIDZDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-16-11(14)9(6-15-16)7-3-2-4-8(5-7)10(12)13/h2-6,10H,14H2,1H3.
What are the key properties of 4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine?
4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 223.23 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117319243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).