(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide

C19H19N3O3 — CID 100755605

IUPAC(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide
SMILESCn1cc([C@H](O)C(=O)NCc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C19H19N3O3/c1-22-13-15(12-21-22)18(23)19(24)20-11-14-7-9-17(10-8-14)25-16-5-3-2-4-6-16/h2-10,12-13,18,23H,11H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyZXCLXSAAZXCVLM-SFHVURJKSA-N
MW337.38 g/mol
LogP2.56
Rot. Bonds6

About (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide

(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide (PubChem CID 100755605) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide
PubChem CID100755605
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide
SMILESCn1cc([C@H](O)C(=O)NCc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C19H19N3O3/c1-22-13-15(12-21-22)18(23)19(24)20-11-14-7-9-17(10-8-14)25-16-5-3-2-4-6-16/h2-10,12-13,18,23H,11H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyZXCLXSAAZXCVLM-SFHVURJKSA-N
XLogP2.56
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide?
The IUPAC name of (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide (CID 100755605) is (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide.
What is the SMILES notation for (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide?
The canonical SMILES for (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide is Cn1cc([C@H](O)C(=O)NCc2ccc(Oc3ccccc3)cc2)cn1.
What is the InChIKey of (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide?
The InChIKey is ZXCLXSAAZXCVLM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22-13-15(12-21-22)18(23)19(24)20-11-14-7-9-17(10-8-14)25-16-5-3-2-4-6-16/h2-10,12-13,18,23H,11H2,1H3,(H,20,24)/t18-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide?
(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(4-phenoxyphenyl)methyl]acetamide is sourced from PubChem (CID 100755605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).