1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole

C7H6F2N4 — CID 167422337

IUPAC1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole
SMILESFC(F)n1cncc1-c1cn[nH]c1
InChIInChI=1S/C7H6F2N4/c8-7(9)13-4-10-3-6(13)5-1-11-12-2-5/h1-4,7H,(H,11,12)
InChIKeyNOZDOFYFJPXYQU-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.67
Rot. Bonds2

About 1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole

1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole (PubChem CID 167422337) has the molecular formula C7H6F2N4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole
PubChem CID167422337
Molecular FormulaC7H6F2N4
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole
SMILESFC(F)n1cncc1-c1cn[nH]c1
InChIInChI=1S/C7H6F2N4/c8-7(9)13-4-10-3-6(13)5-1-11-12-2-5/h1-4,7H,(H,11,12)
InChIKeyNOZDOFYFJPXYQU-UHFFFAOYSA-N
XLogP1.67
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-imidazol-4-yl)-1-methyl-1H-pyrazole
CID 67500785
2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1H-imidazole
CID 13663751
1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride
CID 67500182
1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole
CID 67500183
1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole
CID 165376979
5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole
CID 168866436
2-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]-1H-pyrazol-2-ium-4-amine
CID 169172581
3-[5-(1-Ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine
CID 103571214
2,2-Difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine
CID 103573788
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)methanamine
CID 103851416
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 112705261
2,2-Difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine
CID 114384610

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole?
The IUPAC name of 1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole (CID 167422337) is 1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole.
What is the SMILES notation for 1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole?
The canonical SMILES for 1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole is FC(F)n1cncc1-c1cn[nH]c1.
What is the InChIKey of 1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole?
The InChIKey is NOZDOFYFJPXYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4/c8-7(9)13-4-10-3-6(13)5-1-11-12-2-5/h1-4,7H,(H,11,12).
What are the key properties of 1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole?
1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole has a molecular weight of 184.15 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole is sourced from PubChem (CID 167422337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).