N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C15H14F3N3O — CID 102555552

IUPACN-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)13-12(8-19-21-13)14(22)20-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2,(H,19,21)(H,20,22)
InChIKeyKQGREPMWIGIQHJ-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.72
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 102555552) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID102555552
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)13-12(8-19-21-13)14(22)20-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2,(H,19,21)(H,20,22)
InChIKeyKQGREPMWIGIQHJ-UHFFFAOYSA-N
XLogP2.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 102555552) is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is O=C(NC1CCc2ccccc2C1)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KQGREPMWIGIQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)13-12(8-19-21-13)14(22)20-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2,(H,19,21)(H,20,22).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 309.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 102555552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).