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

C25H22ClN3O2 — CID 46091792

IUPAC4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)cc1
InChIInChI=1S/C25H22ClN3O2/c1-31-22-12-2-17(3-13-22)14-15-27-25(30)20-6-4-18(5-7-20)23-16-24(29-28-23)19-8-10-21(26)11-9-19/h2-13,16H,14-15H2,1H3,(H,27,30)(H,28,29)
InChIKeyARBMEGDANWZNII-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.38
Rot. Bonds7

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

4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 46091792) 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-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID46091792
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)cc1
InChIInChI=1S/C25H22ClN3O2/c1-31-22-12-2-17(3-13-22)14-15-27-25(30)20-6-4-18(5-7-20)23-16-24(29-28-23)19-8-10-21(26)11-9-19/h2-13,16H,14-15H2,1H3,(H,27,30)(H,28,29)
InChIKeyARBMEGDANWZNII-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
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-(3-methoxyphenyl)ethyl]benzamide
CID 46091890
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
N-(3-butoxypropyl)-4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide
CID 46091814
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
CID 1497766
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46109252
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide
CID 91633917
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]-4-methoxybenzamide
CID 110314743

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 46091792) is 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is ARBMEGDANWZNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-31-22-12-2-17(3-13-22)14-15-27-25(30)20-6-4-18(5-7-20)23-16-24(29-28-23)19-8-10-21(26)11-9-19/h2-13,16H,14-15H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 431.92 g/mol, XLogP of 5.38, 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-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 46091792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).