2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide

C15H15F2N3O2 — CID 86867514

IUPAC2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1CC1CCOC1)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2N3O2/c16-11-1-2-13(17)12(7-11)15(21)19-14-3-5-18-20(14)8-10-4-6-22-9-10/h1-3,5,7,10H,4,6,8-9H2,(H,19,21)
InChIKeyHCBRQHWMKKASRZ-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.45
Rot. Bonds4

About 2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide

2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide (PubChem CID 86867514) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
PubChem CID86867514
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1CC1CCOC1)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2N3O2/c16-11-1-2-13(17)12(7-11)15(21)19-14-3-5-18-20(14)8-10-4-6-22-9-10/h1-3,5,7,10H,4,6,8-9H2,(H,19,21)
InChIKeyHCBRQHWMKKASRZ-UHFFFAOYSA-N
XLogP2.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 86867525
2-nitro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 75405962
trans-(1R,2R)-2-(3,4-difluorophenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 166260683
5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 95274554
4-(1,3-dithiolan-2-yl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]benzamide
CID 97077993
N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-1,3-dihydroisoindole-2-carboxamide
CID 99713688
1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide
CID 86867503
1-(2,3-dihydro-1H-inden-2-yl)-3-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]urea
CID 99709604
(E)-3-(3,4-dichlorophenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]prop-2-enamide
CID 75364473
5-(4-bromophenyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 95141081
3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
CID 51098799
(2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide
CID 52510936

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide (CID 86867514) is 2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide is O=C(Nc1ccnn1CC1CCOC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide?
The InChIKey is HCBRQHWMKKASRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c16-11-1-2-13(17)12(7-11)15(21)19-14-3-5-18-20(14)8-10-4-6-22-9-10/h1-3,5,7,10H,4,6,8-9H2,(H,19,21).
What are the key properties of 2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide?
2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide has a molecular weight of 307.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 86867514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).