5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile

C15H8F3N3 — CID 175223219

IUPAC5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile
SMILESN#Cn1nc(C(F)(F)F)cc1-c1cccc2ccccc12
InChIInChI=1S/C15H8F3N3/c16-15(17,18)14-8-13(21(9-19)20-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-8H
InChIKeyYSOVHTOWTDHCGM-UHFFFAOYSA-N
MW287.24 g/mol
LogP4.05
Rot. Bonds1

About 5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile

5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile (PubChem CID 175223219) has the molecular formula C15H8F3N3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile.

Molecular Properties

Compound Name5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile
PubChem CID175223219
Molecular FormulaC15H8F3N3
Molecular Weight287.24 g/mol
Exact Mass287.07
IUPAC Name5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile
SMILESN#Cn1nc(C(F)(F)F)cc1-c1cccc2ccccc12
InChIInChI=1S/C15H8F3N3/c16-15(17,18)14-8-13(21(9-19)20-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-8H
InChIKeyYSOVHTOWTDHCGM-UHFFFAOYSA-N
XLogP4.05
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole
CID 123139950
2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine
CID 134201964
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
CID 159710404
2,4-diamino-6-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrimidine-5-carbonitrile
CID 169398663
3-naphthalen-1-yl-1-(trifluoromethyl)naphthalene
CID 173319096
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
3-methyl-7-(trifluoromethyl)indazole-1-carbonitrile
CID 162550756

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile?
The IUPAC name of 5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile (CID 175223219) is 5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile.
What is the SMILES notation for 5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile?
The canonical SMILES for 5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile is N#Cn1nc(C(F)(F)F)cc1-c1cccc2ccccc12.
What is the InChIKey of 5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile?
The InChIKey is YSOVHTOWTDHCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3/c16-15(17,18)14-8-13(21(9-19)20-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-8H.
What are the key properties of 5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile?
5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile has a molecular weight of 287.24 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile is sourced from PubChem (CID 175223219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).