4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole

C12H12F2N2O — CID 90368719

IUPAC4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole
SMILESCc1c(F)cc(OCc2cnn(C)c2)cc1F
InChIInChI=1S/C12H12F2N2O/c1-8-11(13)3-10(4-12(8)14)17-7-9-5-15-16(2)6-9/h3-6H,7H2,1-2H3
InChIKeyFQRUCQSWMBGANQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.59
Rot. Bonds3

About 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole

4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole (PubChem CID 90368719) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole
PubChem CID90368719
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole
SMILESCc1c(F)cc(OCc2cnn(C)c2)cc1F
InChIInChI=1S/C12H12F2N2O/c1-8-11(13)3-10(4-12(8)14)17-7-9-5-15-16(2)6-9/h3-6H,7H2,1-2H3
InChIKeyFQRUCQSWMBGANQ-UHFFFAOYSA-N
XLogP2.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9949350
1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrazole
CID 3791399
4-ethylphenyl 2-(1H-pyrazol-1-yl)ethyl ether
CID 3414162
3-(4-Butoxyphenyl)-1-methylpyrazole
CID 11229979
4-iodo-1-[(4-methoxyphenyl)methyl]-1H-pyrazole
CID 57421936
4-bromo-1-((4-methoxyphenyl)methyl)-1H-pyrazole
CID 61028949
4-(2-Pyrazol-1-ylethoxy)benzonitrile
CID 43289172
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide
CID 45822307
1-[3-(2-methoxyphenoxy)propyl]-4-(1-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 50979686
4-[3-[2-(4-Methylpyrazol-1-yl)ethylamino]propoxy]benzonitrile
CID 53622349
2-[4-[[4-[2-(4-Methylphenoxy)ethyl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 53624402
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-phenoxypropan-1-amine
CID 53625254

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole?
The IUPAC name of 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole (CID 90368719) is 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole?
The canonical SMILES for 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole is Cc1c(F)cc(OCc2cnn(C)c2)cc1F.
What is the InChIKey of 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole?
The InChIKey is FQRUCQSWMBGANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-8-11(13)3-10(4-12(8)14)17-7-9-5-15-16(2)6-9/h3-6H,7H2,1-2H3.
What are the key properties of 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole?
4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole has a molecular weight of 238.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole is sourced from PubChem (CID 90368719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).