1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole

C15H18F2N2O — CID 58044550

IUPAC1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole
SMILESCC(C)(C)C(F)(F)OCc1ccccc1-n1cccn1
InChIInChI=1S/C15H18F2N2O/c1-14(2,3)15(16,17)20-11-12-7-4-5-8-13(12)19-10-6-9-18-19/h4-10H,11H2,1-3H3
InChIKeyFCFHTPZIPGFAFJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.03
Rot. Bonds4

About 1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole

1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole (PubChem CID 58044550) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole
PubChem CID58044550
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole
SMILESCC(C)(C)C(F)(F)OCc1ccccc1-n1cccn1
InChIInChI=1S/C15H18F2N2O/c1-14(2,3)15(16,17)20-11-12-7-4-5-8-13(12)19-10-6-9-18-19/h4-10H,11H2,1-3H3
InChIKeyFCFHTPZIPGFAFJ-UHFFFAOYSA-N
XLogP4.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine
CID 25060019
3-(1H-Pyrazol-1-yl)benzyl alcohol
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1-[2-fluoro-6-(1H-pyrazol-1-yl)phenyl]ethan-1-ol
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(4-Pyrazol-1-ylphenyl)methyl acetate
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1-[Methoxy(phenyl)methyl]pyrazole
CID 91244891
2-{1-[2-(hydroxymethyl)phenyl]-1H-pyrazol-4-yl}ethanol
CID 50977778
2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine
CID 110226268
1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3,5-dihydro-2H-4,1-benzoxazepine
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CID 15604897

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole?
The IUPAC name of 1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole (CID 58044550) is 1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole.
What is the SMILES notation for 1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole?
The canonical SMILES for 1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole is CC(C)(C)C(F)(F)OCc1ccccc1-n1cccn1.
What is the InChIKey of 1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole?
The InChIKey is FCFHTPZIPGFAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-14(2,3)15(16,17)20-11-12-7-4-5-8-13(12)19-10-6-9-18-19/h4-10H,11H2,1-3H3.
What are the key properties of 1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole?
1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole has a molecular weight of 280.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]phenyl]pyrazole is sourced from PubChem (CID 58044550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).