4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide

C20H21N3O2 — CID 19400060

IUPAC4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(Cc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-3-25-19-10-8-17(9-11-19)20(24)22-18-12-21-23(14-18)13-16-6-4-15(2)5-7-16/h4-12,14H,3,13H2,1-2H3,(H,22,24)
InChIKeySMBMJXHOAOYJCB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.89
Rot. Bonds6

About 4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide

4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19400060) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19400060
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(Cc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-3-25-19-10-8-17(9-11-19)20(24)22-18-12-21-23(14-18)13-16-6-4-15(2)5-7-16/h4-12,14H,3,13H2,1-2H3,(H,22,24)
InChIKeySMBMJXHOAOYJCB-UHFFFAOYSA-N
XLogP3.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401679
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19338461
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19410339
4-[(2-bromophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400049
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19340083
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
3-[(4-ethoxyphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410156
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503362
4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19406490
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19337872

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide (CID 19400060) is 4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide is CCOc1ccc(C(=O)Nc2cnn(Cc3ccc(C)cc3)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is SMBMJXHOAOYJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-25-19-10-8-17(9-11-19)20(24)22-18-12-21-23(14-18)13-16-6-4-15(2)5-7-16/h4-12,14H,3,13H2,1-2H3,(H,22,24).
What are the key properties of 4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19400060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).