4,5-dimethylidene-1H-pyrazole

C5H6N2 — CID 90704386

IUPAC4,5-dimethylidene-1H-pyrazole
SMILESC=c1cn[nH]c1=C
InChIInChI=1S/C5H6N2/c1-4-3-6-7-5(4)2/h3,7H,1-2H2
InChIKeyIPSKVRAZWVHIIB-UHFFFAOYSA-N
MW94.12 g/mol
LogP-0.77
Rot. Bonds

About 4,5-dimethylidene-1H-pyrazole

4,5-dimethylidene-1H-pyrazole (PubChem CID 90704386) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 4,5-dimethylidene-1H-pyrazole.

Molecular Properties

Compound Name4,5-dimethylidene-1H-pyrazole
PubChem CID90704386
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name4,5-dimethylidene-1H-pyrazole
SMILESC=c1cn[nH]c1=C
InChIInChI=1S/C5H6N2/c1-4-3-6-7-5(4)2/h3,7H,1-2H2
InChIKeyIPSKVRAZWVHIIB-UHFFFAOYSA-N
XLogP-0.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylidene-1H-pyrazole?
The IUPAC name of 4,5-dimethylidene-1H-pyrazole (CID 90704386) is 4,5-dimethylidene-1H-pyrazole.
What is the SMILES notation for 4,5-dimethylidene-1H-pyrazole?
The canonical SMILES for 4,5-dimethylidene-1H-pyrazole is C=c1cn[nH]c1=C.
What is the InChIKey of 4,5-dimethylidene-1H-pyrazole?
The InChIKey is IPSKVRAZWVHIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-4-3-6-7-5(4)2/h3,7H,1-2H2.
What are the key properties of 4,5-dimethylidene-1H-pyrazole?
4,5-dimethylidene-1H-pyrazole has a molecular weight of 94.12 g/mol, XLogP of -0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylidene-1H-pyrazole is sourced from PubChem (CID 90704386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).