(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide

C17H23N3O3 — CID 164633164

IUPAC(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide
SMILESCc1c(CNC(=O)C(C)(C)[C@H](O)c2cccc(O)c2)cnn1C
InChIInChI=1S/C17H23N3O3/c1-11-13(10-19-20(11)4)9-18-16(23)17(2,3)15(22)12-6-5-7-14(21)8-12/h5-8,10,15,21-22H,9H2,1-4H3,(H,18,23)/t15-/m1/s1
InChIKeyHZAYNOGULBVWCL-OAHLLOKOSA-N
MW317.39 g/mol
LogP1.81
Rot. Bonds5

About (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide

(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide (PubChem CID 164633164) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide
PubChem CID164633164
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide
SMILESCc1c(CNC(=O)C(C)(C)[C@H](O)c2cccc(O)c2)cnn1C
InChIInChI=1S/C17H23N3O3/c1-11-13(10-19-20(11)4)9-18-16(23)17(2,3)15(22)12-6-5-7-14(21)8-12/h5-8,10,15,21-22H,9H2,1-4H3,(H,18,23)/t15-/m1/s1
InChIKeyHZAYNOGULBVWCL-OAHLLOKOSA-N
XLogP1.81
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide (CID 164633164) is (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide is Cc1c(CNC(=O)C(C)(C)[C@H](O)c2cccc(O)c2)cnn1C.
What is the InChIKey of (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is HZAYNOGULBVWCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-13(10-19-20(11)4)9-18-16(23)17(2,3)15(22)12-6-5-7-14(21)8-12/h5-8,10,15,21-22H,9H2,1-4H3,(H,18,23)/t15-/m1/s1.
What are the key properties of (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide?
(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 164633164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).