1-(1,1-difluoroethyl)-4,5-dimethylpyrazole

C7H10F2N2 — CID 176710911

IUPAC1-(1,1-difluoroethyl)-4,5-dimethylpyrazole
SMILESCc1cnn(C(C)(F)F)c1C
InChIInChI=1S/C7H10F2N2/c1-5-4-10-11(6(5)2)7(3,8)9/h4H,1-3H3
InChIKeyPJNWPUKKCRVIIF-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.07
Rot. Bonds1

About 1-(1,1-difluoroethyl)-4,5-dimethylpyrazole

1-(1,1-difluoroethyl)-4,5-dimethylpyrazole (PubChem CID 176710911) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-4,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-4,5-dimethylpyrazole
PubChem CID176710911
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1-(1,1-difluoroethyl)-4,5-dimethylpyrazole
SMILESCc1cnn(C(C)(F)F)c1C
InChIInChI=1S/C7H10F2N2/c1-5-4-10-11(6(5)2)7(3,8)9/h4H,1-3H3
InChIKeyPJNWPUKKCRVIIF-UHFFFAOYSA-N
XLogP2.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine
CID 6886586
(1,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 818472
4-ethynyl-1,3-dimethyl-1H-pyrazole
CID 12298388
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
1,3-dimethyl-1H-pyrazole-4-carbaldehyde oxime
CID 9568655
4-Ethynyl-1,5-dimethyl-1H-pyrazole
CID 12299299
(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 59818031
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylamine
CID 578961
1-Ethyl-3-methyl-1H-pyrazole-4-carbaldehyde oxime
CID 6885154
1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde oxime
CID 6886279
(5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl)methanamine
CID 60866655
(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanamine
CID 7022221

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-4,5-dimethylpyrazole?
The IUPAC name of 1-(1,1-difluoroethyl)-4,5-dimethylpyrazole (CID 176710911) is 1-(1,1-difluoroethyl)-4,5-dimethylpyrazole.
What is the SMILES notation for 1-(1,1-difluoroethyl)-4,5-dimethylpyrazole?
The canonical SMILES for 1-(1,1-difluoroethyl)-4,5-dimethylpyrazole is Cc1cnn(C(C)(F)F)c1C.
What is the InChIKey of 1-(1,1-difluoroethyl)-4,5-dimethylpyrazole?
The InChIKey is PJNWPUKKCRVIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-5-4-10-11(6(5)2)7(3,8)9/h4H,1-3H3.
What are the key properties of 1-(1,1-difluoroethyl)-4,5-dimethylpyrazole?
1-(1,1-difluoroethyl)-4,5-dimethylpyrazole has a molecular weight of 160.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-4,5-dimethylpyrazole is sourced from PubChem (CID 176710911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).