2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C13H15N3O3 — CID 103606134

IUPAC2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C13H15N3O3/c1-8(2)16-12(5-6-14-16)15-13(19)10-4-3-9(17)7-11(10)18/h3-8,17-18H,1-2H3,(H,15,19)
InChIKeyPKFBQMUUPPFRMX-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.13
Rot. Bonds3

About 2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide

2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 103606134) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID103606134
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C13H15N3O3/c1-8(2)16-12(5-6-14-16)15-13(19)10-4-3-9(17)7-11(10)18/h3-8,17-18H,1-2H3,(H,15,19)
InChIKeyPKFBQMUUPPFRMX-UHFFFAOYSA-N
XLogP2.13
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 107073845
4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 112702320
2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 79777050
5-amino-1-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-carboxamide
CID 75438362
5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 24695142
5-amino-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
CID 54917197
3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 63188295
2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 78772248
4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182601
6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 47151732
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372
2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide
CID 30183382

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 103606134) is 2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide is CC(C)n1nccc1NC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is PKFBQMUUPPFRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(2)16-12(5-6-14-16)15-13(19)10-4-3-9(17)7-11(10)18/h3-8,17-18H,1-2H3,(H,15,19).
What are the key properties of 2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 261.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 103606134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).