1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine

C10H8F3N3 — CID 57416965

IUPAC1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
SMILESNc1cnn(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)7-1-3-9(4-2-7)16-6-8(14)5-15-16/h1-6H,14H2
InChIKeyDYELEHQSBJRAES-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.47
Rot. Bonds1

About 1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine

1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine (PubChem CID 57416965) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
PubChem CID57416965
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
SMILESNc1cnn(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)7-1-3-9(4-2-7)16-6-8(14)5-15-16/h1-6H,14H2
InChIKeyDYELEHQSBJRAES-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine (CID 57416965) is 1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine is Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine?
The InChIKey is DYELEHQSBJRAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)7-1-3-9(4-2-7)16-6-8(14)5-15-16/h1-6H,14H2.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine?
1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine has a molecular weight of 227.19 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine is sourced from PubChem (CID 57416965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).