3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole

C15H16F2N2O — CID 167764143

IUPAC3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole
SMILESFC(F)c1cc(-c2ccccc2)n(CC2CCCO2)n1
InChIInChI=1S/C15H16F2N2O/c16-15(17)13-9-14(11-5-2-1-3-6-11)19(18-13)10-12-7-4-8-20-12/h1-3,5-6,9,12,15H,4,7-8,10H2
InChIKeyJZHJFNFFEPFZAW-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.67
Rot. Bonds4

About 3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole

3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole (PubChem CID 167764143) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole
PubChem CID167764143
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole
SMILESFC(F)c1cc(-c2ccccc2)n(CC2CCCO2)n1
InChIInChI=1S/C15H16F2N2O/c16-15(17)13-9-14(11-5-2-1-3-6-11)19(18-13)10-12-7-4-8-20-12/h1-3,5-6,9,12,15H,4,7-8,10H2
InChIKeyJZHJFNFFEPFZAW-UHFFFAOYSA-N
XLogP3.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2S)-oxolan-2-yl]methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-5-phenylimidazole
CID 94578664
1-(oxolan-2-ylmethyl)-2,4,5-triphenylimidazole
CID 102110360
ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate
CID 166249437
1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole
CID 96563588
1-(oxolan-2-ylmethyl)-5-(3-phenylpropyl)tetrazole
CID 71860522
3,5-dibromo-1-(oxan-2-ylmethyl)pyrazole
CID 114692402
4-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 40619169
3-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 51319699
3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one
CID 82520976
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 19532088
1-[2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylethyl]pyrrolidine-2,5-dione
CID 30805113

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole?
The IUPAC name of 3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole (CID 167764143) is 3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole is FC(F)c1cc(-c2ccccc2)n(CC2CCCO2)n1.
What is the InChIKey of 3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole?
The InChIKey is JZHJFNFFEPFZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c16-15(17)13-9-14(11-5-2-1-3-6-11)19(18-13)10-12-7-4-8-20-12/h1-3,5-6,9,12,15H,4,7-8,10H2.
What are the key properties of 3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole?
3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole has a molecular weight of 278.30 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole is sourced from PubChem (CID 167764143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).