N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C22H25N3O — CID 51295081

IUPACN-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(C(NC(=O)Cc2c(C)nn(C)c2C)c2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-15-10-12-19(13-11-15)22(18-8-6-5-7-9-18)23-21(26)14-20-16(2)24-25(4)17(20)3/h5-13,22H,14H2,1-4H3,(H,23,26)
InChIKeyMJIYKMRKZBYVMQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.79
Rot. Bonds5

About N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 51295081) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID51295081
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(C(NC(=O)Cc2c(C)nn(C)c2C)c2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-15-10-12-19(13-11-15)22(18-8-6-5-7-9-18)23-21(26)14-20-16(2)24-25(4)17(20)3/h5-13,22H,14H2,1-4H3,(H,23,26)
InChIKeyMJIYKMRKZBYVMQ-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134035164
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 52500131
N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24663985
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55841246
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050711
N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51103832
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35091912
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 42929090
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9155603
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 33077344

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 51295081) is N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ccc(C(NC(=O)Cc2c(C)nn(C)c2C)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is MJIYKMRKZBYVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-10-12-19(13-11-15)22(18-8-6-5-7-9-18)23-21(26)14-20-16(2)24-25(4)17(20)3/h5-13,22H,14H2,1-4H3,(H,23,26).
What are the key properties of N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 51295081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).