1H-pyrazole-5-carbonitrile

C4H3N3 — CID 12921228

IUPAC1H-pyrazole-5-carbonitrile
SMILESN#Cc1ccn[nH]1
InChIInChI=1S/C4H3N3/c5-3-4-1-2-6-7-4/h1-2H,(H,6,7)
InChIKeyYMJLEPMVGQBLHL-UHFFFAOYSA-N
MW93.09 g/mol
LogP0.28
Rot. Bonds

About 1H-pyrazole-5-carbonitrile

1H-pyrazole-5-carbonitrile (PubChem CID 12921228) has the molecular formula C4H3N3 and a molecular weight of 93.09 g/mol. Its IUPAC name is 1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name1H-pyrazole-5-carbonitrile
PubChem CID12921228
Molecular FormulaC4H3N3
Molecular Weight93.09 g/mol
Exact Mass93.03
IUPAC Name1H-pyrazole-5-carbonitrile
SMILESN#Cc1ccn[nH]1
InChIInChI=1S/C4H3N3/c5-3-4-1-2-6-7-4/h1-2H,(H,6,7)
InChIKeyYMJLEPMVGQBLHL-UHFFFAOYSA-N
XLogP0.28
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.09
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-5-carbonitrile?
The IUPAC name of 1H-pyrazole-5-carbonitrile (CID 12921228) is 1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 1H-pyrazole-5-carbonitrile?
The canonical SMILES for 1H-pyrazole-5-carbonitrile is N#Cc1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-carbonitrile?
The InChIKey is YMJLEPMVGQBLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3/c5-3-4-1-2-6-7-4/h1-2H,(H,6,7).
What are the key properties of 1H-pyrazole-5-carbonitrile?
1H-pyrazole-5-carbonitrile has a molecular weight of 93.09 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 12921228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).