5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine

C10H7F6N3S — CID 167796436

IUPAC5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine
SMILESFC(F)(F)c1[nH]ncc1NCc1ccsc1C(F)(F)F
InChIInChI=1S/C10H7F6N3S/c11-9(12,13)7-6(4-18-19-7)17-3-5-1-2-20-8(5)10(14,15)16/h1-2,4,17H,3H2,(H,18,19)
InChIKeyRPPAYWPIIUUAHR-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.12
Rot. Bonds3

About 5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine

5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine (PubChem CID 167796436) has the molecular formula C10H7F6N3S and a molecular weight of 315.24 g/mol. Its IUPAC name is 5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine
PubChem CID167796436
Molecular FormulaC10H7F6N3S
Molecular Weight315.24 g/mol
Exact Mass315.03
IUPAC Name5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine
SMILESFC(F)(F)c1[nH]ncc1NCc1ccsc1C(F)(F)F
InChIInChI=1S/C10H7F6N3S/c11-9(12,13)7-6(4-18-19-7)17-3-5-1-2-20-8(5)10(14,15)16/h1-2,4,17H,3H2,(H,18,19)
InChIKeyRPPAYWPIIUUAHR-UHFFFAOYSA-N
XLogP4.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine?
The IUPAC name of 5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine (CID 167796436) is 5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine is FC(F)(F)c1[nH]ncc1NCc1ccsc1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine?
The InChIKey is RPPAYWPIIUUAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6N3S/c11-9(12,13)7-6(4-18-19-7)17-3-5-1-2-20-8(5)10(14,15)16/h1-2,4,17H,3H2,(H,18,19).
What are the key properties of 5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine?
5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine has a molecular weight of 315.24 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 167796436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).