hydron;1H-pyrazole-4-carbonitrile

C4H4N3+ — CID 174812975

IUPAChydron;1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1.[H+]
InChIInChI=1S/C4H3N3/c5-1-4-2-6-7-3-4/h2-3H,(H,6,7)/p+1
InChIKeyNUGZBVBZIDWZAD-UHFFFAOYSA-O
MW94.10 g/mol
LogP0.39
Rot. Bonds

About hydron;1H-pyrazole-4-carbonitrile

hydron;1H-pyrazole-4-carbonitrile (PubChem CID 174812975) has the molecular formula C4H4N3+ and a molecular weight of 94.10 g/mol. Its IUPAC name is hydron;1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Namehydron;1H-pyrazole-4-carbonitrile
PubChem CID174812975
Molecular FormulaC4H4N3+
Molecular Weight94.10 g/mol
Exact Mass94.04
IUPAC Namehydron;1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1.[H+]
InChIInChI=1S/C4H3N3/c5-1-4-2-6-7-3-4/h2-3H,(H,6,7)/p+1
InChIKeyNUGZBVBZIDWZAD-UHFFFAOYSA-O
XLogP0.39
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.10
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hydron;1H-pyrazole-4-carbonitrile?
The IUPAC name of hydron;1H-pyrazole-4-carbonitrile (CID 174812975) is hydron;1H-pyrazole-4-carbonitrile.
What is the SMILES notation for hydron;1H-pyrazole-4-carbonitrile?
The canonical SMILES for hydron;1H-pyrazole-4-carbonitrile is N#Cc1cn[nH]c1.[H+].
What is the InChIKey of hydron;1H-pyrazole-4-carbonitrile?
The InChIKey is NUGZBVBZIDWZAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H3N3/c5-1-4-2-6-7-3-4/h2-3H,(H,6,7)/p+1.
What are the key properties of hydron;1H-pyrazole-4-carbonitrile?
hydron;1H-pyrazole-4-carbonitrile has a molecular weight of 94.10 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 174812975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).