1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine

C8H6F5N5 — CID 176658720

IUPAC1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2ccn(C(F)F)n2)c1C(F)(F)F
InChIInChI=1S/C8H6F5N5/c9-7(10)17-2-1-5(16-17)18-6(8(11,12)13)4(14)3-15-18/h1-3,7H,14H2
InChIKeyUUZSTKSONDBUTH-UHFFFAOYSA-N
MW267.16 g/mol
LogP2.06
Rot. Bonds2

About 1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine

1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 176658720) has the molecular formula C8H6F5N5 and a molecular weight of 267.16 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID176658720
Molecular FormulaC8H6F5N5
Molecular Weight267.16 g/mol
Exact Mass267.05
IUPAC Name1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cnn(-c2ccn(C(F)F)n2)c1C(F)(F)F
InChIInChI=1S/C8H6F5N5/c9-7(10)17-2-1-5(16-17)18-6(8(11,12)13)4(14)3-15-18/h1-3,7H,14H2
InChIKeyUUZSTKSONDBUTH-UHFFFAOYSA-N
XLogP2.06
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine (CID 176658720) is 1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine is Nc1cnn(-c2ccn(C(F)F)n2)c1C(F)(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is UUZSTKSONDBUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N5/c9-7(10)17-2-1-5(16-17)18-6(8(11,12)13)4(14)3-15-18/h1-3,7H,14H2.
What are the key properties of 1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine?
1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 267.16 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 176658720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).