3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide

C20H19N3O2 — CID 90385122

IUPAC3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H19N3O2/c1-13(15-6-4-3-5-7-15)23-20(25)16-8-9-18(17-11-21-22-12-17)19(10-16)14(2)24/h3-13H,1-2H3,(H,21,22)(H,23,25)/t13-/m1/s1
InChIKeyOADFGYOXDWAMIX-CYBMUJFWSA-N
MW333.39 g/mol
LogP3.77
Rot. Bonds5

About 3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide

3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 90385122) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID90385122
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H19N3O2/c1-13(15-6-4-3-5-7-15)23-20(25)16-8-9-18(17-11-21-22-12-17)19(10-16)14(2)24/h3-13H,1-2H3,(H,21,22)(H,23,25)/t13-/m1/s1
InChIKeyOADFGYOXDWAMIX-CYBMUJFWSA-N
XLogP3.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 90385122) is 3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide is CC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1-c1cn[nH]c1.
What is the InChIKey of 3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is OADFGYOXDWAMIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13(15-6-4-3-5-7-15)23-20(25)16-8-9-18(17-11-21-22-12-17)19(10-16)14(2)24/h3-13H,1-2H3,(H,21,22)(H,23,25)/t13-/m1/s1.
What are the key properties of 3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 90385122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).