N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide

C17H23N3O — CID 35520918

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide
SMILESCCn1nccc1CN(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C17H23N3O/c1-3-20-16(12-13-18-20)14-19(2)17(21)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3
InChIKeyLMKVZZVTTLOJAO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.88
Rot. Bonds7

About N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide

N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide (PubChem CID 35520918) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide
PubChem CID35520918
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide
SMILESCCn1nccc1CN(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C17H23N3O/c1-3-20-16(12-13-18-20)14-19(2)17(21)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3
InChIKeyLMKVZZVTTLOJAO-UHFFFAOYSA-N
XLogP2.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-phenylacetamide
CID 19454252
N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 19454245
3-(4-chloro-3-methylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19558392
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 122143622
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454265
1-[2-[(2-ethylpyrazol-3-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624221
N'-benzyl-N'-[(2-ethylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 107364942
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454310
5-[(2-ethylpyrazol-3-yl)methyl-(2-phenylethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494352
2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19454239
N-benzyl-N-methylpentanamide
CID 4629611
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531219

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide (CID 35520918) is N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide is CCn1nccc1CN(C)C(=O)CCCc1ccccc1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide?
The InChIKey is LMKVZZVTTLOJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-20-16(12-13-18-20)14-19(2)17(21)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide?
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide has a molecular weight of 285.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 35520918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).