5-pentyl-3-(trifluoromethyl)-1H-pyrazole

C9H13F3N2 — CID 15364666

IUPAC5-pentyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCCCCCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C9H13F3N2/c1-2-3-4-5-7-6-8(14-13-7)9(10,11)12/h6H,2-5H2,1H3,(H,13,14)
InChIKeyJVGVXKAXCZOIBU-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.16
Rot. Bonds4

About 5-pentyl-3-(trifluoromethyl)-1H-pyrazole

5-pentyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 15364666) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-pentyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-pentyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID15364666
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name5-pentyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCCCCCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C9H13F3N2/c1-2-3-4-5-7-6-8(14-13-7)9(10,11)12/h6H,2-5H2,1H3,(H,13,14)
InChIKeyJVGVXKAXCZOIBU-UHFFFAOYSA-N
XLogP3.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethylpyrazole
CID 6210
1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
CID 139077
5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole
CID 600756
3,5-Bis(trifluoromethyl)pyrazole
CID 518991
3,5-Di-t-butylpyrazole
CID 136912
3,5-bis(difluoromethyl)-1H-pyrazole
CID 7019433
5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
CID 7147403
3,5-diethyl-1H-pyrazole
CID 4306367
3,5-Diisopropylpyrazole
CID 5255229
5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
CID 7147438
(3-ethyl-1H-pyrazol-5-yl)methanamine
CID 23006039
3-(Heptafluoropropyl)-5-methyl-1H-pyrazole
CID 2774945

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-pentyl-3-(trifluoromethyl)-1H-pyrazole (CID 15364666) is 5-pentyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-pentyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-pentyl-3-(trifluoromethyl)-1H-pyrazole is CCCCCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-pentyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is JVGVXKAXCZOIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-2-3-4-5-7-6-8(14-13-7)9(10,11)12/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-pentyl-3-(trifluoromethyl)-1H-pyrazole?
5-pentyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 206.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 15364666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).