5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

C5H2F3N3 — CID 1483378

IUPAC5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H2F3N3/c6-5(7,8)4-3(1-9)2-10-11-4/h2H,(H,10,11)
InChIKeyHNIRANRLHUHUOS-UHFFFAOYSA-N
MW161.09 g/mol
LogP1.30
Rot. Bonds

About 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (PubChem CID 1483378) has the molecular formula C5H2F3N3 and a molecular weight of 161.09 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
PubChem CID1483378
Molecular FormulaC5H2F3N3
Molecular Weight161.09 g/mol
Exact Mass161.02
IUPAC Name5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H2F3N3/c6-5(7,8)4-3(1-9)2-10-11-4/h2H,(H,10,11)
InChIKeyHNIRANRLHUHUOS-UHFFFAOYSA-N
XLogP1.30
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.09
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CID 1483378) is 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is N#Cc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The InChIKey is HNIRANRLHUHUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3N3/c6-5(7,8)4-3(1-9)2-10-11-4/h2H,(H,10,11).
What are the key properties of 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile has a molecular weight of 161.09 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 1483378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).