5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole

C8H14N2 — CID 71334211

IUPAC5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole
SMILESCC(C)=C1CN=NC1(C)C
InChIInChI=1S/C8H14N2/c1-6(2)7-5-9-10-8(7,3)4/h5H2,1-4H3
InChIKeyZTZAXVOWNSYRAK-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.57
Rot. Bonds

About 5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole

5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole (PubChem CID 71334211) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole.

Molecular Properties

Compound Name5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole
PubChem CID71334211
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole
SMILESCC(C)=C1CN=NC1(C)C
InChIInChI=1S/C8H14N2/c1-6(2)7-5-9-10-8(7,3)4/h5H2,1-4H3
InChIKeyZTZAXVOWNSYRAK-UHFFFAOYSA-N
XLogP2.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole?
The IUPAC name of 5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole (CID 71334211) is 5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole.
What is the SMILES notation for 5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole?
The canonical SMILES for 5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole is CC(C)=C1CN=NC1(C)C.
What is the InChIKey of 5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole?
The InChIKey is ZTZAXVOWNSYRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)7-5-9-10-8(7,3)4/h5H2,1-4H3.
What are the key properties of 5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole?
5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole has a molecular weight of 138.21 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-propan-2-ylidene-3H-pyrazole is sourced from PubChem (CID 71334211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).