1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole

C10H16F2N2 — CID 135157683

IUPAC1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole
SMILESCC(C)(C)Cc1ccn(CC(F)F)n1
InChIInChI=1S/C10H16F2N2/c1-10(2,3)6-8-4-5-14(13-8)7-9(11)12/h4-5,9H,6-7H2,1-3H3
InChIKeyRAQDMABUEUDXHW-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.74
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole

1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole (PubChem CID 135157683) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole
PubChem CID135157683
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole
SMILESCC(C)(C)Cc1ccn(CC(F)F)n1
InChIInChI=1S/C10H16F2N2/c1-10(2,3)6-8-4-5-14(13-8)7-9(11)12/h4-5,9H,6-7H2,1-3H3
InChIKeyRAQDMABUEUDXHW-UHFFFAOYSA-N
XLogP2.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-1-(2,2-difluoroethyl)pyrazole
CID 154655757
1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine
CID 115698091
1-(2,2-difluoroethyl)-3-methoxypyrazole
CID 141431612
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]propan-1-amine
CID 122168966
CID 15810519
CID 15810519
1-(2,2-difluoroethyl)pyrazole-3-carbonitrile
CID 50896841
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
CID 97338490
1-(2,2-difluoroethyl)pyrazole-3-carboxylic acid;ethane
CID 145001463
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966474
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126963870
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 122168476

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole (CID 135157683) is 1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole is CC(C)(C)Cc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole?
The InChIKey is RAQDMABUEUDXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-10(2,3)6-8-4-5-14(13-8)7-9(11)12/h4-5,9H,6-7H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole?
1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole has a molecular weight of 202.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole is sourced from PubChem (CID 135157683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).