1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole

C12H10F2N4S — CID 84586031

IUPAC1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole
SMILESFC(F)n1ccnc1Cn1ccc(-c2cccs2)n1
InChIInChI=1S/C12H10F2N4S/c13-12(14)18-6-4-15-11(18)8-17-5-3-9(16-17)10-2-1-7-19-10/h1-7,12H,8H2
InChIKeyRQZRGQBLVRCKDP-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.25
Rot. Bonds4

About 1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole

1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole (PubChem CID 84586031) has the molecular formula C12H10F2N4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole
PubChem CID84586031
Molecular FormulaC12H10F2N4S
Molecular Weight280.30 g/mol
Exact Mass280.06
IUPAC Name1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole
SMILESFC(F)n1ccnc1Cn1ccc(-c2cccs2)n1
InChIInChI=1S/C12H10F2N4S/c13-12(14)18-6-4-15-11(18)8-17-5-3-9(16-17)10-2-1-7-19-10/h1-7,12H,8H2
InChIKeyRQZRGQBLVRCKDP-UHFFFAOYSA-N
XLogP3.25
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-2-thiophen-2-ylimidazole
CID 116621597
1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole
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2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride
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1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole
CID 70375481
1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole
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(1S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-thiophen-2-ylethanamine
CID 81408360
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole
CID 113223335
4-(bromomethyl)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazole
CID 62401613
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350505
tris[(3-thiophen-2-ylpyrazol-1-yl)oxy]boranuide
CID 125121262
2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide
CID 121139809
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-benzothiazol-2-one
CID 71923591

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole?
The IUPAC name of 1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole (CID 84586031) is 1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole is FC(F)n1ccnc1Cn1ccc(-c2cccs2)n1.
What is the InChIKey of 1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole?
The InChIKey is RQZRGQBLVRCKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4S/c13-12(14)18-6-4-15-11(18)8-17-5-3-9(16-17)10-2-1-7-19-10/h1-7,12H,8H2.
What are the key properties of 1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole?
1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole has a molecular weight of 280.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole is sourced from PubChem (CID 84586031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).