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

C15H20N4 — CID 742062

IUPAC5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole
SMILESC=CCn1ncc(Cc2cnn(CC=C)c2C)c1C
InChIInChI=1S/C15H20N4/c1-5-7-18-12(3)14(10-16-18)9-15-11-17-19(8-6-2)13(15)4/h5-6,10-11H,1-2,7-9H2,3-4H3
InChIKeyNYSSGNIDJQDYKE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.66
Rot. Bonds6

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

5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole (PubChem CID 742062) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole.

Molecular Properties

Compound Name5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole
PubChem CID742062
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole
SMILESC=CCn1ncc(Cc2cnn(CC=C)c2C)c1C
InChIInChI=1S/C15H20N4/c1-5-7-18-12(3)14(10-16-18)9-15-11-17-19(8-6-2)13(15)4/h5-6,10-11H,1-2,7-9H2,3-4H3
InChIKeyNYSSGNIDJQDYKE-UHFFFAOYSA-N
XLogP2.66
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.66
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 5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole?
The IUPAC name of 5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole (CID 742062) is 5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole.
What is the SMILES notation for 5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole?
The canonical SMILES for 5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole is C=CCn1ncc(Cc2cnn(CC=C)c2C)c1C.
What is the InChIKey of 5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole?
The InChIKey is NYSSGNIDJQDYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-5-7-18-12(3)14(10-16-18)9-15-11-17-19(8-6-2)13(15)4/h5-6,10-11H,1-2,7-9H2,3-4H3.
What are the key properties of 5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole?
5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole has a molecular weight of 256.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole is sourced from PubChem (CID 742062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).