2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide

C19H23N5O — CID 46957419

IUPAC2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CC(=O)NCCn1ccnc1
InChIInChI=1S/C19H23N5O/c1-15-18(12-19(25)21-9-11-23-10-8-20-14-23)16(2)24(22-15)13-17-6-4-3-5-7-17/h3-8,10,14H,9,11-13H2,1-2H3,(H,21,25)
InChIKeyJLTRZPFNQCOBFB-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.10
Rot. Bonds7

About 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide

2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide (PubChem CID 46957419) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide
PubChem CID46957419
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CC(=O)NCCn1ccnc1
InChIInChI=1S/C19H23N5O/c1-15-18(12-19(25)21-9-11-23-10-8-20-14-23)16(2)24(22-15)13-17-6-4-3-5-7-17/h3-8,10,14H,9,11-13H2,1-2H3,(H,21,25)
InChIKeyJLTRZPFNQCOBFB-UHFFFAOYSA-N
XLogP2.10
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-imidazol-1-ylethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294277
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 51278295
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126467180
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8944117

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide?
The IUPAC name of 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide (CID 46957419) is 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide?
The canonical SMILES for 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide is Cc1nn(Cc2ccccc2)c(C)c1CC(=O)NCCn1ccnc1.
What is the InChIKey of 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide?
The InChIKey is JLTRZPFNQCOBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-15-18(12-19(25)21-9-11-23-10-8-20-14-23)16(2)24(22-15)13-17-6-4-3-5-7-17/h3-8,10,14H,9,11-13H2,1-2H3,(H,21,25).
What are the key properties of 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide?
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide has a molecular weight of 337.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(2-imidazol-1-ylethyl)acetamide is sourced from PubChem (CID 46957419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).