3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole

C8H8F2N4 — CID 162252535

IUPAC3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole
SMILESCn1nc(C(F)F)cc1-n1ccnc1
InChIInChI=1S/C8H8F2N4/c1-13-7(14-3-2-11-5-14)4-6(12-13)8(9)10/h2-5,8H,1H3
InChIKeyDWXXCPBDCUFVCQ-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.54
Rot. Bonds2

About 3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole

3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole (PubChem CID 162252535) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole
PubChem CID162252535
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole
SMILESCn1nc(C(F)F)cc1-n1ccnc1
InChIInChI=1S/C8H8F2N4/c1-13-7(14-3-2-11-5-14)4-6(12-13)8(9)10/h2-5,8H,1H3
InChIKeyDWXXCPBDCUFVCQ-UHFFFAOYSA-N
XLogP1.54
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71595886
N,5-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70778317
7-Imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 35417569
5-Methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71596495
1-methyl-3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 13861132
4-Methyl-6-(1h-pyrazol-1-yl)pyrimidine
CID 61967283
4-(1,3-dimethyl-1H-pyrazol-5-yl)-3-[2-(1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole
CID 56704701
2-ethyl-4-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56871387
1-[(1-Propan-2-ylpyrazol-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 64293854
N,2,5-trimethyl-N-[2-(1H-pyrazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70744947
1-[2-(Dimethylsulfamoylamino)ethyl]-6-methylimidazo[1,2-b]pyrazole
CID 91629249
N-methyl-2-(3-methyl-1H-pyrazol-1-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]ethanamine
CID 91839558

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole?
The IUPAC name of 3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole (CID 162252535) is 3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole is Cn1nc(C(F)F)cc1-n1ccnc1.
What is the InChIKey of 3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole?
The InChIKey is DWXXCPBDCUFVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c1-13-7(14-3-2-11-5-14)4-6(12-13)8(9)10/h2-5,8H,1H3.
What are the key properties of 3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole?
3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole has a molecular weight of 198.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-imidazol-1-yl-1-methylpyrazole is sourced from PubChem (CID 162252535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).