4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole

C17H24N4 — CID 748681

IUPAC4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole
SMILESC=CCn1nc(C)c(Cc2c(C)nn(CC=C)c2C)c1C
InChIInChI=1S/C17H24N4/c1-7-9-20-14(5)16(12(3)18-20)11-17-13(4)19-21(10-8-2)15(17)6/h7-8H,1-2,9-11H2,3-6H3
InChIKeyXFADURQNHXSHIJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.28
Rot. Bonds6

About 4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole

4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole (PubChem CID 748681) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole
PubChem CID748681
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole
SMILESC=CCn1nc(C)c(Cc2c(C)nn(CC=C)c2C)c1C
InChIInChI=1S/C17H24N4/c1-7-9-20-14(5)16(12(3)18-20)11-17-13(4)19-21(10-8-2)15(17)6/h7-8H,1-2,9-11H2,3-6H3
InChIKeyXFADURQNHXSHIJ-UHFFFAOYSA-N
XLogP3.28
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole?
The IUPAC name of 4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole (CID 748681) is 4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole.
What is the SMILES notation for 4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole?
The canonical SMILES for 4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole is C=CCn1nc(C)c(Cc2c(C)nn(CC=C)c2C)c1C.
What is the InChIKey of 4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole?
The InChIKey is XFADURQNHXSHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-7-9-20-14(5)16(12(3)18-20)11-17-13(4)19-21(10-8-2)15(17)6/h7-8H,1-2,9-11H2,3-6H3.
What are the key properties of 4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole?
4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole has a molecular weight of 284.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole is sourced from PubChem (CID 748681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).