5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide

C15H19N3O3 — CID 68604615

IUPAC5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccc(-c2cc(C)n(C[C@@H](O)CO)n2)cc1C(N)=O
InChIInChI=1S/C15H19N3O3/c1-9-3-4-11(6-13(9)15(16)21)14-5-10(2)18(17-14)7-12(20)8-19/h3-6,12,19-20H,7-8H2,1-2H3,(H2,16,21)/t12-/m1/s1
InChIKeyUKPKSHCAUVRHTO-GFCCVEGCSA-N
MW289.34 g/mol
LogP0.62
Rot. Bonds5

About 5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide

5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide (PubChem CID 68604615) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide
PubChem CID68604615
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccc(-c2cc(C)n(C[C@@H](O)CO)n2)cc1C(N)=O
InChIInChI=1S/C15H19N3O3/c1-9-3-4-11(6-13(9)15(16)21)14-5-10(2)18(17-14)7-12(20)8-19/h3-6,12,19-20H,7-8H2,1-2H3,(H2,16,21)/t12-/m1/s1
InChIKeyUKPKSHCAUVRHTO-GFCCVEGCSA-N
XLogP0.62
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide?
The IUPAC name of 5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide (CID 68604615) is 5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for 5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for 5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide is Cc1ccc(-c2cc(C)n(C[C@@H](O)CO)n2)cc1C(N)=O.
What is the InChIKey of 5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide?
The InChIKey is UKPKSHCAUVRHTO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-3-4-11(6-13(9)15(16)21)14-5-10(2)18(17-14)7-12(20)8-19/h3-6,12,19-20H,7-8H2,1-2H3,(H2,16,21)/t12-/m1/s1.
What are the key properties of 5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide?
5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide has a molecular weight of 289.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 68604615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).