4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide

C22H25N3O2 — CID 125439884

IUPAC4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide
SMILESCCn1cc(-c2ccc(C(=O)N(C)C[C@H](O)c3ccccc3)cc2)c(C)n1
InChIInChI=1S/C22H25N3O2/c1-4-25-14-20(16(2)23-25)17-10-12-19(13-11-17)22(27)24(3)15-21(26)18-8-6-5-7-9-18/h5-14,21,26H,4,15H2,1-3H3/t21-/m0/s1
InChIKeyNTWWKRQDJSNZDX-NRFANRHFSA-N
MW363.46 g/mol
LogP3.68
Rot. Bonds6

About 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide

4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide (PubChem CID 125439884) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide
PubChem CID125439884
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide
SMILESCCn1cc(-c2ccc(C(=O)N(C)C[C@H](O)c3ccccc3)cc2)c(C)n1
InChIInChI=1S/C22H25N3O2/c1-4-25-14-20(16(2)23-25)17-10-12-19(13-11-17)22(27)24(3)15-21(26)18-8-6-5-7-9-18/h5-14,21,26H,4,15H2,1-3H3/t21-/m0/s1
InChIKeyNTWWKRQDJSNZDX-NRFANRHFSA-N
XLogP3.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide?
The IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide (CID 125439884) is 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide?
The canonical SMILES for 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide is CCn1cc(-c2ccc(C(=O)N(C)C[C@H](O)c3ccccc3)cc2)c(C)n1.
What is the InChIKey of 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide?
The InChIKey is NTWWKRQDJSNZDX-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-25-14-20(16(2)23-25)17-10-12-19(13-11-17)22(27)24(3)15-21(26)18-8-6-5-7-9-18/h5-14,21,26H,4,15H2,1-3H3/t21-/m0/s1.
What are the key properties of 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide?
4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide is sourced from PubChem (CID 125439884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).