4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide

C25H22ClN3O2 — CID 46091776

IUPAC4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C25H22ClN3O2/c1-2-31-24-6-4-3-5-20(24)16-27-25(30)19-9-7-17(8-10-19)22-15-23(29-28-22)18-11-13-21(26)14-12-18/h3-15H,2,16H2,1H3,(H,27,30)(H,28,29)
InChIKeyAEZMPZWZSYEXQK-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.73
Rot. Bonds7

About 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide

4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide (PubChem CID 46091776) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
PubChem CID46091776
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C25H22ClN3O2/c1-2-31-24-6-4-3-5-20(24)16-27-25(30)19-9-7-17(8-10-19)22-15-23(29-28-22)18-11-13-21(26)14-12-18/h3-15H,2,16H2,1H3,(H,27,30)(H,28,29)
InChIKeyAEZMPZWZSYEXQK-UHFFFAOYSA-N
XLogP5.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091871
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46109251
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53049963
N-(3-butoxypropyl)-4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide
CID 46091814
N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091788
N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046553
N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 46091915
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
3-(4-chlorophenyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5457432

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide (CID 46091776) is 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide is CCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide?
The InChIKey is AEZMPZWZSYEXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-2-31-24-6-4-3-5-20(24)16-27-25(30)19-9-7-17(8-10-19)22-15-23(29-28-22)18-11-13-21(26)14-12-18/h3-15H,2,16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide?
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide has a molecular weight of 431.92 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46091776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).