(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide

C19H27N3O3 — CID 97068294

IUPAC(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCc1cc(C)n([C@H](C)C(=O)NC[C@H](O)c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C19H27N3O3/c1-12(2)25-17-8-6-7-16(10-17)18(23)11-20-19(24)15(5)22-14(4)9-13(3)21-22/h6-10,12,15,18,23H,11H2,1-5H3,(H,20,24)/t15-,18+/m1/s1
InChIKeyIQDZAUIJXSXBNJ-QAPCUYQASA-N
MW345.44 g/mol
LogP2.70
Rot. Bonds7

About (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide

(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide (PubChem CID 97068294) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide
PubChem CID97068294
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCc1cc(C)n([C@H](C)C(=O)NC[C@H](O)c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C19H27N3O3/c1-12(2)25-17-8-6-7-16(10-17)18(23)11-20-19(24)15(5)22-14(4)9-13(3)21-22/h6-10,12,15,18,23H,11H2,1-5H3,(H,20,24)/t15-,18+/m1/s1
InChIKeyIQDZAUIJXSXBNJ-QAPCUYQASA-N
XLogP2.70
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide (CID 97068294) is (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide is Cc1cc(C)n([C@H](C)C(=O)NC[C@H](O)c2cccc(OC(C)C)c2)n1.
What is the InChIKey of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide?
The InChIKey is IQDZAUIJXSXBNJ-QAPCUYQASA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12(2)25-17-8-6-7-16(10-17)18(23)11-20-19(24)15(5)22-14(4)9-13(3)21-22/h6-10,12,15,18,23H,11H2,1-5H3,(H,20,24)/t15-,18+/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide?
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide is sourced from PubChem (CID 97068294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).