1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole

C14H24F2N2 — CID 139570967

IUPAC1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole
SMILESCCCCC(C)(CCCC)c1cnn(C(F)F)c1
InChIInChI=1S/C14H24F2N2/c1-4-6-8-14(3,9-7-5-2)12-10-17-18(11-12)13(15)16/h10-11,13H,4-9H2,1-3H3
InChIKeyWYGIHGVWQWLWLA-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.92
Rot. Bonds8

About 1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole

1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole (PubChem CID 139570967) has the molecular formula C14H24F2N2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole
PubChem CID139570967
Molecular FormulaC14H24F2N2
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole
SMILESCCCCC(C)(CCCC)c1cnn(C(F)F)c1
InChIInChI=1S/C14H24F2N2/c1-4-6-8-14(3,9-7-5-2)12-10-17-18(11-12)13(15)16/h10-11,13H,4-9H2,1-3H3
InChIKeyWYGIHGVWQWLWLA-UHFFFAOYSA-N
XLogP4.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-4-octylpyrazole
CID 44222592
4-[3,3-Difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
CID 18187752
1-Methyl-4-(3-methylpentan-3-yl)-3-(trifluoromethyl)pyrazole
CID 57647560
3-(Difluoromethyl)-1-methyl-4-(3-methylpentan-3-yl)pyrazole
CID 57647569
2-[1-(1-Tert-butylpyrazol-4-yl)ethyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736269
2-[(1-Tert-butylpyrazol-4-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736316
4-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 59623701
1-(2-Fluoroethyl)-4-pentylpyrazole
CID 69998690
1-Methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole
CID 70645202
2-[(1-Tert-butylpyrazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006171
2-[1-(1-Tert-butylpyrazol-4-yl)ethyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006239
2-(3-Fluoropropyl)-2-[(1-prop-2-ynylpyrazol-4-yl)methyl]propanedinitrile
CID 89006363

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole?
The IUPAC name of 1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole (CID 139570967) is 1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole is CCCCC(C)(CCCC)c1cnn(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole?
The InChIKey is WYGIHGVWQWLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2/c1-4-6-8-14(3,9-7-5-2)12-10-17-18(11-12)13(15)16/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole?
1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole has a molecular weight of 258.36 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole is sourced from PubChem (CID 139570967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).