5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile

C10H6F3N5 — CID 722155

IUPAC5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C10H6F3N5/c11-10(12,13)7-1-2-8(16-5-7)18-9(15)6(3-14)4-17-18/h1-2,4-5H,15H2
InChIKeyWEEMVZFMKZIUEU-UHFFFAOYSA-N
MW253.19 g/mol
LogP1.74
Rot. Bonds1

About 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile

5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile (PubChem CID 722155) has the molecular formula C10H6F3N5 and a molecular weight of 253.19 g/mol. Its IUPAC name is 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile
PubChem CID722155
Molecular FormulaC10H6F3N5
Molecular Weight253.19 g/mol
Exact Mass253.06
IUPAC Name5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C10H6F3N5/c11-10(12,13)7-1-2-8(16-5-7)18-9(15)6(3-14)4-17-18/h1-2,4-5H,15H2
InChIKeyWEEMVZFMKZIUEU-UHFFFAOYSA-N
XLogP1.74
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile (CID 722155) is 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile is N#Cc1cnn(-c2ccc(C(F)(F)F)cn2)c1N.
What is the InChIKey of 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
The InChIKey is WEEMVZFMKZIUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5/c11-10(12,13)7-1-2-8(16-5-7)18-9(15)6(3-14)4-17-18/h1-2,4-5H,15H2.
What are the key properties of 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile has a molecular weight of 253.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 722155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).