4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

C22H25N3O2 — CID 91776202

IUPAC4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1ccccc1-c1ccc(C(=O)NC(C)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C22H25N3O2/c1-14(21-15(2)24-25(4)16(21)3)23-22(26)18-12-10-17(11-13-18)19-8-6-7-9-20(19)27-5/h6-14H,1-5H3,(H,23,26)
InChIKeyLAPDLCGNZXZHNX-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.20
Rot. Bonds5

About 4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 91776202) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID91776202
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1ccccc1-c1ccc(C(=O)NC(C)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C22H25N3O2/c1-14(21-15(2)24-25(4)16(21)3)23-22(26)18-12-10-17(11-13-18)19-8-6-7-9-20(19)27-5/h6-14H,1-5H3,(H,23,26)
InChIKeyLAPDLCGNZXZHNX-UHFFFAOYSA-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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Related Compounds

4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide
CID 95198850
methyl 4-[3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]phenyl]-1H-pyrrole-2-carboxylate
CID 122562398
2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 95898801
3,5-dibromo-4-hydroxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 154751403
(2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94796021
2-(3-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588667
7-methoxy-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 95158128
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 33077344
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 71998489
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
5-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 91788462
4-oxo-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 51126922

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (CID 91776202) is 4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is COc1ccccc1-c1ccc(C(=O)NC(C)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is LAPDLCGNZXZHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(21-15(2)24-25(4)16(21)3)23-22(26)18-12-10-17(11-13-18)19-8-6-7-9-20(19)27-5/h6-14H,1-5H3,(H,23,26).
What are the key properties of 4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-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-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 91776202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).