4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide

C22H25N3O2 — CID 126437611

IUPAC4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1cc(C)c(-c2ccc(C(=O)N[C@@H](C)c3cnn(C)c3)cc2)cc1C
InChIInChI=1S/C22H25N3O2/c1-14-11-21(27-5)15(2)10-20(14)17-6-8-18(9-7-17)22(26)24-16(3)19-12-23-25(4)13-19/h6-13,16H,1-5H3,(H,24,26)/t16-/m0/s1
InChIKeyQJPJJMUCLVOEJK-INIZCTEOSA-N
MW363.46 g/mol
LogP4.20
Rot. Bonds5

About 4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide

4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 126437611) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID126437611
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1cc(C)c(-c2ccc(C(=O)N[C@@H](C)c3cnn(C)c3)cc2)cc1C
InChIInChI=1S/C22H25N3O2/c1-14-11-21(27-5)15(2)10-20(14)17-6-8-18(9-7-17)22(26)24-16(3)19-12-23-25(4)13-19/h6-13,16H,1-5H3,(H,24,26)/t16-/m0/s1
InChIKeyQJPJJMUCLVOEJK-INIZCTEOSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 126437611) is 4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide is COc1cc(C)c(-c2ccc(C(=O)N[C@@H](C)c3cnn(C)c3)cc2)cc1C.
What is the InChIKey of 4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is QJPJJMUCLVOEJK-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-11-21(27-5)15(2)10-20(14)17-6-8-18(9-7-17)22(26)24-16(3)19-12-23-25(4)13-19/h6-13,16H,1-5H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,5-dimethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 126437611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).