1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole

C11H17FN2O — CID 170175328

IUPAC1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole
SMILESCOc1nn(C2CC2(C)F)cc1C(C)C
InChIInChI=1S/C11H17FN2O/c1-7(2)8-6-14(13-10(8)15-4)9-5-11(9,3)12/h6-7,9H,5H2,1-4H3
InChIKeyXLLVMVRNWIRNSD-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.69
Rot. Bonds3

About 1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole

1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole (PubChem CID 170175328) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole
PubChem CID170175328
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole
SMILESCOc1nn(C2CC2(C)F)cc1C(C)C
InChIInChI=1S/C11H17FN2O/c1-7(2)8-6-14(13-10(8)15-4)9-5-11(9,3)12/h6-7,9H,5H2,1-4H3
InChIKeyXLLVMVRNWIRNSD-UHFFFAOYSA-N
XLogP2.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Difluoromethoxy)-4-ethyl-1-methylpyrazole
CID 53720359
3-(Difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole
CID 118345077
3-(Difluoromethoxy)-1,4-diethylpyrazole
CID 122546068
1-(Cyclopropylmethyl)-4-fluoro-5-methoxypyrazole
CID 149727484
1-(2,2-Difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine
CID 153499379
4-Ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole
CID 167258922
1-(2,2-Difluoroethyl)-3-methoxy-4-propan-2-ylpyrazole
CID 168723661
1-(Difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole
CID 168723760
6-Fluoro-6-methyl-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 168751026
1-Cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole
CID 170175326
3-(2,2-Difluoroethoxy)-4-ethyl-1-methylpyrazole
CID 170376151
1-Methyl-4-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole
CID 170376152

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole?
The IUPAC name of 1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole (CID 170175328) is 1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole?
The canonical SMILES for 1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole is COc1nn(C2CC2(C)F)cc1C(C)C.
What is the InChIKey of 1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole?
The InChIKey is XLLVMVRNWIRNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-7(2)8-6-14(13-10(8)15-4)9-5-11(9,3)12/h6-7,9H,5H2,1-4H3.
What are the key properties of 1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole?
1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole has a molecular weight of 212.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylcyclopropyl)-3-methoxy-4-propan-2-ylpyrazole is sourced from PubChem (CID 170175328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).