1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole

C11H14F4N2 — CID 175828679

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole
SMILESCc1cn(CC2CC(F)(F)C2)nc1C(C)(F)F
InChIInChI=1S/C11H14F4N2/c1-7-5-17(16-9(7)10(2,12)13)6-8-3-11(14,15)4-8/h5,8H,3-4,6H2,1-2H3
InChIKeyGRQMOCUVCRIOBB-UHFFFAOYSA-N
MW250.24 g/mol
LogP3.35
Rot. Bonds3

About 1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole

1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole (PubChem CID 175828679) has the molecular formula C11H14F4N2 and a molecular weight of 250.24 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole
PubChem CID175828679
Molecular FormulaC11H14F4N2
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole
SMILESCc1cn(CC2CC(F)(F)C2)nc1C(C)(F)F
InChIInChI=1S/C11H14F4N2/c1-7-5-17(16-9(7)10(2,12)13)6-8-3-11(14,15)4-8/h5,8H,3-4,6H2,1-2H3
InChIKeyGRQMOCUVCRIOBB-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-difluorocyclobutyl)methyl]-3-ethyl-4-(trifluoromethyl)pyrazole
CID 175828622
1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoropropan-2-yl)-4-methylpyrazole
CID 175828684
1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole
CID 175828652
ethane;4-methyl-1-propyl-3-(trifluoromethyl)pyrazole
CID 143746140
2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 169217856
[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]boronic acid
CID 164651773
ethyl 1-[(3,3-difluorocyclobutyl)methyl]pyrazole-4-carboxylate
CID 122240406
ethane;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile
CID 143431716
1-[(3,3-difluorocyclobutyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 134129804
methyl 1-[(3,3-difluorocyclobutyl)methyl]imidazole-4-carboxylate
CID 170957684
ethyl 3-(1,1-difluoroethyl)-1-[[(2R)-4,4-difluoro-2-(trifluoromethyl)cyclopentyl]methyl]-4-methylpyrazole-5-carboxylate
CID 167334366
3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole
CID 175828677

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole (CID 175828679) is 1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole is Cc1cn(CC2CC(F)(F)C2)nc1C(C)(F)F.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole?
The InChIKey is GRQMOCUVCRIOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2/c1-7-5-17(16-9(7)10(2,12)13)6-8-3-11(14,15)4-8/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole?
1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole has a molecular weight of 250.24 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]-3-(1,1-difluoroethyl)-4-methylpyrazole is sourced from PubChem (CID 175828679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).