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

C15H15F2N3O2 — CID 86867525

IUPAC3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1CC1CCOC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2N3O2/c16-12-5-11(6-13(17)7-12)15(21)19-14-1-3-18-20(14)8-10-2-4-22-9-10/h1,3,5-7,10H,2,4,8-9H2,(H,19,21)
InChIKeyLDOUVZIMMVKTNC-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.45
Rot. Bonds4

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

3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide (PubChem CID 86867525) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
PubChem CID86867525
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1CC1CCOC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2N3O2/c16-12-5-11(6-13(17)7-12)15(21)19-14-1-3-18-20(14)8-10-2-4-22-9-10/h1,3,5-7,10H,2,4,8-9H2,(H,19,21)
InChIKeyLDOUVZIMMVKTNC-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

2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 86867514
4-(1,3-dithiolan-2-yl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]benzamide
CID 97077993
2-nitro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 75405962
5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 95274554
trans-(1R,2R)-2-(3,4-difluorophenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 166260683
(2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide
CID 52510936
2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide
CID 51128391
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

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide (CID 86867525) is 3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide is O=C(Nc1ccnn1CC1CCOC1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide?
The InChIKey is LDOUVZIMMVKTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c16-12-5-11(6-13(17)7-12)15(21)19-14-1-3-18-20(14)8-10-2-4-22-9-10/h1,3,5-7,10H,2,4,8-9H2,(H,19,21).
What are the key properties of 3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide?
3,5-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 3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 86867525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).