3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole

C13H14F2N2O — CID 142566148

IUPAC3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole
SMILESCOc1cn(C(C)C)nc1-c1c(F)cccc1F
InChIInChI=1S/C13H14F2N2O/c1-8(2)17-7-11(18-3)13(16-17)12-9(14)5-4-6-10(12)15/h4-8H,1-3H3
InChIKeyLDMAJIMHONAPSC-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.42
Rot. Bonds3

About 3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole

3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole (PubChem CID 142566148) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole
PubChem CID142566148
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole
SMILESCOc1cn(C(C)C)nc1-c1c(F)cccc1F
InChIInChI=1S/C13H14F2N2O/c1-8(2)17-7-11(18-3)13(16-17)12-9(14)5-4-6-10(12)15/h4-8H,1-3H3
InChIKeyLDMAJIMHONAPSC-UHFFFAOYSA-N
XLogP3.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-3-(2,6-difluorophenyl)-1-propan-2-ylpyrazole
CID 142566060
2-fluoro-6-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 107602961
3-(2-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole
CID 142566335
3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane
CID 142566077
2-fluoro-6-(3-methyl-1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 114560401
2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 66020833
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 142566374
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
4-methyl-3-phenyl-1-propan-2-ylpyrazole
CID 123403415
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115768061

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole?
The IUPAC name of 3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole (CID 142566148) is 3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole is COc1cn(C(C)C)nc1-c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole?
The InChIKey is LDMAJIMHONAPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-8(2)17-7-11(18-3)13(16-17)12-9(14)5-4-6-10(12)15/h4-8H,1-3H3.
What are the key properties of 3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole?
3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole has a molecular weight of 252.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-4-methoxy-1-propan-2-ylpyrazole is sourced from PubChem (CID 142566148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).