1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole

C14H16F2N2O — CID 72899024

IUPAC1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole
SMILESCOC(C)c1cccc(-c2cnn(C(F)F)c2C)c1
InChIInChI=1S/C14H16F2N2O/c1-9-13(8-17-18(9)14(15)16)12-6-4-5-11(7-12)10(2)19-3/h4-8,10,14H,1-3H3
InChIKeyVGSBIIAEIQCAFH-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.96
Rot. Bonds4

About 1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole

1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole (PubChem CID 72899024) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole
PubChem CID72899024
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole
SMILESCOC(C)c1cccc(-c2cnn(C(F)F)c2C)c1
InChIInChI=1S/C14H16F2N2O/c1-9-13(8-17-18(9)14(15)16)12-6-4-5-11(7-12)10(2)19-3/h4-8,10,14H,1-3H3
InChIKeyVGSBIIAEIQCAFH-UHFFFAOYSA-N
XLogP3.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole
CID 126448059
4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319243
6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 126434033
3-[3-(1-methoxyethyl)phenyl]-N,N-dimethylpyrazin-2-amine
CID 74250142
2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine
CID 126424979
2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine
CID 95226468
2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole
CID 97437656
3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine
CID 126446276
5-[3-[(1S)-1-methoxyethyl]phenyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 137086671
7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
CID 11338440
5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole
CID 121497205
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole?
The IUPAC name of 1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole (CID 72899024) is 1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole is COC(C)c1cccc(-c2cnn(C(F)F)c2C)c1.
What is the InChIKey of 1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole?
The InChIKey is VGSBIIAEIQCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-9-13(8-17-18(9)14(15)16)12-6-4-5-11(7-12)10(2)19-3/h4-8,10,14H,1-3H3.
What are the key properties of 1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole?
1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole has a molecular weight of 266.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole is sourced from PubChem (CID 72899024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).