4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole

C19H32F4N2 — CID 146377464

IUPAC4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole
SMILESCCCCCCCC(C)(CCCCCC)n1cc(F)c(C(F)(F)F)n1
InChIInChI=1S/C19H32F4N2/c1-4-6-8-10-12-14-18(3,13-11-9-7-5-2)25-15-16(20)17(24-25)19(21,22)23/h15H,4-14H2,1-3H3
InChIKeyDEDHNDZAKDRDRZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP7.09
Rot. Bonds12

About 4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole

4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 146377464) has the molecular formula C19H32F4N2 and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole
PubChem CID146377464
Molecular FormulaC19H32F4N2
Molecular Weight364.47 g/mol
Exact Mass364.25
IUPAC Name4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole
SMILESCCCCCCCC(C)(CCCCCC)n1cc(F)c(C(F)(F)F)n1
InChIInChI=1S/C19H32F4N2/c1-4-6-8-10-12-14-18(3,13-11-9-7-5-2)25-15-16(20)17(24-25)19(21,22)23/h15H,4-14H2,1-3H3
InChIKeyDEDHNDZAKDRDRZ-UHFFFAOYSA-N
XLogP7.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 57.09
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

5-methyl-1-(5-methyldodecan-5-yl)-3-(trifluoromethyl)pyrazole
CID 146377469
2-fluoro-1-(5-methyldodecan-5-yl)imidazole
CID 146378366
4-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 167267822
4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole
CID 146378021
5-chloro-3-fluoro-1-(5-methyldodecan-5-yl)pyrazole
CID 146377981
4-fluoro-5-methoxy-2-(6-methyltridecan-6-yl)triazole
CID 146378526
2-fluoro-5-methyl-1-(5-methyldodecan-5-yl)imidazole
CID 146378039
5-methyl-1-(6-methyltridecan-6-yl)imidazole
CID 146379596
3,4-difluoro-1-methyl-2-(6-methyldodecan-6-yl)pyrrole
CID 146377449
3,4,5-trichloro-1-(5-methyldodecan-5-yl)pyrazole
CID 146377204
3-tert-butyl-1-ethyl-4-fluoropyrazole
CID 146379463
5-fluoro-1,3-dimethyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146376882

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole (CID 146377464) is 4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole is CCCCCCCC(C)(CCCCCC)n1cc(F)c(C(F)(F)F)n1.
What is the InChIKey of 4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is DEDHNDZAKDRDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F4N2/c1-4-6-8-10-12-14-18(3,13-11-9-7-5-2)25-15-16(20)17(24-25)19(21,22)23/h15H,4-14H2,1-3H3.
What are the key properties of 4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole?
4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 364.47 g/mol, XLogP of 7.09, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 146377464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).