pyrazol-1-ide

C3H3N2- — CID 5460486

IUPACpyrazol-1-ide
SMILESc1cn[n-]c1
InChIInChI=1S/C3H3N2/c1-2-4-5-3-1/h1-3H/q-1
InChIKeyLBLQPCAYBXWESC-UHFFFAOYSA-N
MW67.07 g/mol
LogP0.04
Rot. Bonds

About pyrazol-1-ide

pyrazol-1-ide (PubChem CID 5460486) has the molecular formula C3H3N2- and a molecular weight of 67.07 g/mol. Its IUPAC name is pyrazol-1-ide.

Molecular Properties

Compound Namepyrazol-1-ide
PubChem CID5460486
Molecular FormulaC3H3N2-
Molecular Weight67.07 g/mol
Exact Mass67.03
IUPAC Namepyrazol-1-ide
SMILESc1cn[n-]c1
InChIInChI=1S/C3H3N2/c1-2-4-5-3-1/h1-3H/q-1
InChIKeyLBLQPCAYBXWESC-UHFFFAOYSA-N
XLogP0.04
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.07
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrazole
CID 1048
1,2,3-Triazine
CID 123047
1H-Pyrazole, 1-nitro-
CID 146002
Pyrazole, 1-((trichloromethyl)thio)-
CID 96279
1-hydroxy-1H-pyrazole
CID 3016733
1H-pyrazol-1-amine
CID 11829352
N-fluorosulfonylpyrazole
CID 14959300
1-(Trimethylsilyl)-1H-pyrazole
CID 580724
1-(Tributylstannyl)-1H-pyrazole
CID 305933
Pyrazole-d4
CID 71309634
1h-pyrazole, sodium salt
CID 12107527
N-fluoropyrazole
CID 18614771

Frequently Asked Questions

What is the IUPAC name of pyrazol-1-ide?
The IUPAC name of pyrazol-1-ide (CID 5460486) is pyrazol-1-ide.
What is the SMILES notation for pyrazol-1-ide?
The canonical SMILES for pyrazol-1-ide is c1cn[n-]c1.
What is the InChIKey of pyrazol-1-ide?
The InChIKey is LBLQPCAYBXWESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2/c1-2-4-5-3-1/h1-3H/q-1.
What are the key properties of pyrazol-1-ide?
pyrazol-1-ide has a molecular weight of 67.07 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-ide is sourced from PubChem (CID 5460486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).