3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole

C17H30N2 — CID 129140986

IUPAC3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole
SMILESC=Cc1cc(C(C)(CC)CCCCCCC)n(C)n1
InChIInChI=1S/C17H30N2/c1-6-9-10-11-12-13-17(4,8-3)16-14-15(7-2)18-19(16)5/h7,14H,2,6,8-13H2,1,3-5H3
InChIKeyJQCJHEOCGOTHPC-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.09
Rot. Bonds9

About 3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole

3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole (PubChem CID 129140986) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole.

Molecular Properties

Compound Name3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole
PubChem CID129140986
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole
SMILESC=Cc1cc(C(C)(CC)CCCCCCC)n(C)n1
InChIInChI=1S/C17H30N2/c1-6-9-10-11-12-13-17(4,8-3)16-14-15(7-2)18-19(16)5/h7,14H,2,6,8-13H2,1,3-5H3
InChIKeyJQCJHEOCGOTHPC-UHFFFAOYSA-N
XLogP5.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethenyl-1-methyl-5-(6-methyltridecan-6-yl)pyrazole
CID 167094263
3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole
CID 126514041
3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole
CID 155109996
2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
CID 155110068
1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 170409875
4-chloro-1-methyl-2-(6-methyldodecan-6-yl)pyrrole
CID 146377588
3-iodo-1,5-dimethyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146378442
2-iodo-1-methyl-5-(6-methyldodecan-6-yl)pyrrole
CID 146377615
3-methyl-5-(7-methyltridecan-7-yl)-1,3,4-oxadiazol-2-one
CID 154968110
5-fluoro-1,3-dimethyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146376882
5-fluoro-1,4-dimethyl-3-(6-methyldodecan-6-yl)pyrazole
CID 146376862
1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole
CID 146376804

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole?
The IUPAC name of 3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole (CID 129140986) is 3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole.
What is the SMILES notation for 3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole?
The canonical SMILES for 3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole is C=Cc1cc(C(C)(CC)CCCCCCC)n(C)n1.
What is the InChIKey of 3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole?
The InChIKey is JQCJHEOCGOTHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-9-10-11-12-13-17(4,8-3)16-14-15(7-2)18-19(16)5/h7,14H,2,6,8-13H2,1,3-5H3.
What are the key properties of 3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole?
3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole has a molecular weight of 262.44 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole is sourced from PubChem (CID 129140986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).