5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile

C16H10F3N5 — CID 10830186

IUPAC5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C16H10F3N5/c17-16(18,19)11-1-3-12(4-2-11)22-15-13(9-20)14(23-24-15)10-5-7-21-8-6-10/h1-8H,(H2,22,23,24)
InChIKeyKGXAGZGUYFOSIY-UHFFFAOYSA-N
MW329.29 g/mol
LogP4.11
Rot. Bonds3

About 5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile

5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile (PubChem CID 10830186) has the molecular formula C16H10F3N5 and a molecular weight of 329.29 g/mol. Its IUPAC name is 5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
PubChem CID10830186
Molecular FormulaC16H10F3N5
Molecular Weight329.29 g/mol
Exact Mass329.09
IUPAC Name5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C16H10F3N5/c17-16(18,19)11-1-3-12(4-2-11)22-15-13(9-20)14(23-24-15)10-5-7-21-8-6-10/h1-8H,(H2,22,23,24)
InChIKeyKGXAGZGUYFOSIY-UHFFFAOYSA-N
XLogP4.11
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile (CID 10830186) is 5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile is N#Cc1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1-c1ccncc1.
What is the InChIKey of 5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
The InChIKey is KGXAGZGUYFOSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5/c17-16(18,19)11-1-3-12(4-2-11)22-15-13(9-20)14(23-24-15)10-5-7-21-8-6-10/h1-8H,(H2,22,23,24).
What are the key properties of 5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile?
5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile has a molecular weight of 329.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-3-[4-(trifluoromethyl)anilino]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 10830186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).