1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole

C10H12F2N4 — CID 63810301

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2nccn2C(F)F)n1
InChIInChI=1S/C10H12F2N4/c1-7-5-8(2)16(14-7)6-9-13-3-4-15(9)10(11)12/h3-5,10H,6H2,1-2H3
InChIKeyXYHCLUMLZPUFHH-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.14
Rot. Bonds3

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole (PubChem CID 63810301) has the molecular formula C10H12F2N4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole
PubChem CID63810301
Molecular FormulaC10H12F2N4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2nccn2C(F)F)n1
InChIInChI=1S/C10H12F2N4/c1-7-5-8(2)16(14-7)6-9-13-3-4-15(9)10(11)12/h3-5,10H,6H2,1-2H3
InChIKeyXYHCLUMLZPUFHH-UHFFFAOYSA-N
XLogP2.14
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-Dimethylpyrazolyl)-3-imidazolylpyridazine
CID 2998404
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53605638
1-(1H-imidazol-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propan-2-amine
CID 56714603
N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 56893902
4-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]-1-piperazinyl}-6-(trifluoromethyl)pyrimidine
CID 56906811
5-(1-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazol-4-yl)pyrimidine
CID 72850565
1-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazole
CID 72866156
2-(2-isopropyl-1H-imidazol-1-yl)-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}propanamide
CID 72899172
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 92553785
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110226389
N-{2-[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]acetamide
CID 124078818

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole (CID 63810301) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(Cc2nccn2C(F)F)n1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole?
The InChIKey is XYHCLUMLZPUFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4/c1-7-5-8(2)16(14-7)6-9-13-3-4-15(9)10(11)12/h3-5,10H,6H2,1-2H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole has a molecular weight of 226.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 63810301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).