N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide

C22H25N3O — CID 8944173

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C22H25N3O/c1-16-9-7-8-12-20(16)13-22(26)23-14-21-17(2)24-25(18(21)3)15-19-10-5-4-6-11-19/h4-12H,13-15H2,1-3H3,(H,23,26)
InChIKeyBPNIYEIJLPZQTI-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.72
Rot. Bonds6

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide (PubChem CID 8944173) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
PubChem CID8944173
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C22H25N3O/c1-16-9-7-8-12-20(16)13-22(26)23-14-21-17(2)24-25(18(21)3)15-19-10-5-4-6-11-19/h4-12H,13-15H2,1-3H3,(H,23,26)
InChIKeyBPNIYEIJLPZQTI-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]-2-methylbenzamide
CID 8944660
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 51278295
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8944117
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
4-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 120559406
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide
CID 18129608
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 8944686
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565669
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 24566118

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide (CID 8944173) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is BPNIYEIJLPZQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-9-7-8-12-20(16)13-22(26)23-14-21-17(2)24-25(18(21)3)15-19-10-5-4-6-11-19/h4-12H,13-15H2,1-3H3,(H,23,26).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 8944173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).