1H-pyrazole-3,5-dicarbonitrile

C5H2N4 — CID 68584615

IUPAC1H-pyrazole-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)[nH]n1
InChIInChI=1S/C5H2N4/c6-2-4-1-5(3-7)9-8-4/h1H,(H,8,9)
InChIKeyLBSASQXIHJDQCN-UHFFFAOYSA-N
MW118.10 g/mol
LogP0.15
Rot. Bonds

About 1H-pyrazole-3,5-dicarbonitrile

1H-pyrazole-3,5-dicarbonitrile (PubChem CID 68584615) has the molecular formula C5H2N4 and a molecular weight of 118.10 g/mol. Its IUPAC name is 1H-pyrazole-3,5-dicarbonitrile.

Molecular Properties

Compound Name1H-pyrazole-3,5-dicarbonitrile
PubChem CID68584615
Molecular FormulaC5H2N4
Molecular Weight118.10 g/mol
Exact Mass118.03
IUPAC Name1H-pyrazole-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)[nH]n1
InChIInChI=1S/C5H2N4/c6-2-4-1-5(3-7)9-8-4/h1H,(H,8,9)
InChIKeyLBSASQXIHJDQCN-UHFFFAOYSA-N
XLogP0.15
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.10
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethylpyrazole
CID 6210
1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
CID 139077
3,5-Bis(trifluoromethyl)pyrazole
CID 518991
3,5-bis(difluoromethyl)-1H-pyrazole
CID 7019433
3-(difluoromethyl)-5-methyl-1H-pyrazole
CID 2782520
5-Methyl-1H-pyrazole-3-carbonitrile
CID 39234960
3,5-Dimethyl-1H-pyrazole hydrochloride
CID 12203524
4-Amino-5-methyl-1h-pyrazole-3-carbonitrile
CID 268859
3,5-dimethyl-1H-pyrazol-2-ium
CID 4276549
Chromium(VI) oxide 3,5-dimethylpyrazole
CID 11769411
3,5-bis(methyl-d3)-1H-pyrazole-4-d
CID 12203525
3,5-bis(fluoromethyl)-1H-pyrazole
CID 68584687

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-3,5-dicarbonitrile?
The IUPAC name of 1H-pyrazole-3,5-dicarbonitrile (CID 68584615) is 1H-pyrazole-3,5-dicarbonitrile.
What is the SMILES notation for 1H-pyrazole-3,5-dicarbonitrile?
The canonical SMILES for 1H-pyrazole-3,5-dicarbonitrile is N#Cc1cc(C#N)[nH]n1.
What is the InChIKey of 1H-pyrazole-3,5-dicarbonitrile?
The InChIKey is LBSASQXIHJDQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N4/c6-2-4-1-5(3-7)9-8-4/h1H,(H,8,9).
What are the key properties of 1H-pyrazole-3,5-dicarbonitrile?
1H-pyrazole-3,5-dicarbonitrile has a molecular weight of 118.10 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-3,5-dicarbonitrile is sourced from PubChem (CID 68584615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).