4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine

C10H6F5N3 — CID 64560664

IUPAC4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1-c1ccc(F)cc1F
InChIInChI=1S/C10H6F5N3/c11-4-1-2-5(6(12)3-4)7-8(10(13,14)15)17-18-9(7)16/h1-3H,(H3,16,17,18)
InChIKeyFWCXKMNQBCZWLX-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.96
Rot. Bonds1

About 4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine

4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 64560664) has the molecular formula C10H6F5N3 and a molecular weight of 263.17 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID64560664
Molecular FormulaC10H6F5N3
Molecular Weight263.17 g/mol
Exact Mass263.05
IUPAC Name4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1-c1ccc(F)cc1F
InChIInChI=1S/C10H6F5N3/c11-4-1-2-5(6(12)3-4)7-8(10(13,14)15)17-18-9(7)16/h1-3H,(H3,16,17,18)
InChIKeyFWCXKMNQBCZWLX-UHFFFAOYSA-N
XLogP2.96
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 64560664) is 4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine is Nc1n[nH]c(C(F)(F)F)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is FWCXKMNQBCZWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F5N3/c11-4-1-2-5(6(12)3-4)7-8(10(13,14)15)17-18-9(7)16/h1-3H,(H3,16,17,18).
What are the key properties of 4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 263.17 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 64560664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).