3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide

C14H15F2N3O3 — CID 138027112

IUPAC3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide
SMILESCOCC(C)n1ccc(NC(=O)c2cc(F)cc(F)c2O)n1
InChIInChI=1S/C14H15F2N3O3/c1-8(7-22-2)19-4-3-12(18-19)17-14(21)10-5-9(15)6-11(16)13(10)20/h3-6,8,20H,7H2,1-2H3,(H,17,18,21)
InChIKeyFBPWBLDJOMXGGR-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.33
Rot. Bonds5

About 3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide

3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide (PubChem CID 138027112) has the molecular formula C14H15F2N3O3 and a molecular weight of 311.29 g/mol. Its IUPAC name is 3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide
PubChem CID138027112
Molecular FormulaC14H15F2N3O3
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC Name3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide
SMILESCOCC(C)n1ccc(NC(=O)c2cc(F)cc(F)c2O)n1
InChIInChI=1S/C14H15F2N3O3/c1-8(7-22-2)19-4-3-12(18-19)17-14(21)10-5-9(15)6-11(16)13(10)20/h3-6,8,20H,7H2,1-2H3,(H,17,18,21)
InChIKeyFBPWBLDJOMXGGR-UHFFFAOYSA-N
XLogP2.33
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid
CID 129470308
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea
CID 99840336
2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide
CID 114115113
methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate
CID 129359157
4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122090813
(3S)-N-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]-3-methylsulfanylazepane-1-carboxamide
CID 124621844
3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 142693047
2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide
CID 100616220
3-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyrazole-1-carboxylic acid
CID 66921093
N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide
CID 126778674
5-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19404949
2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 4774851

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide (CID 138027112) is 3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide is COCC(C)n1ccc(NC(=O)c2cc(F)cc(F)c2O)n1.
What is the InChIKey of 3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide?
The InChIKey is FBPWBLDJOMXGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3/c1-8(7-22-2)19-4-3-12(18-19)17-14(21)10-5-9(15)6-11(16)13(10)20/h3-6,8,20H,7H2,1-2H3,(H,17,18,21).
What are the key properties of 3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide?
3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 311.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 138027112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).