N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide

C16H21N3O — CID 19288572

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
SMILESCCn1cc(CNC(=O)CCc2ccccc2)c(C)n1
InChIInChI=1S/C16H21N3O/c1-3-19-12-15(13(2)18-19)11-17-16(20)10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,17,20)
InChIKeyQGWQCGZOZBUNPH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.46
Rot. Bonds6

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide (PubChem CID 19288572) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
PubChem CID19288572
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
SMILESCCn1cc(CNC(=O)CCc2ccccc2)c(C)n1
InChIInChI=1S/C16H21N3O/c1-3-19-12-15(13(2)18-19)11-17-16(20)10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,17,20)
InChIKeyQGWQCGZOZBUNPH-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19330999
3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 19584398
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-naphthalen-1-ylurea
CID 4176167
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126963926
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 122559335
2-(benzotriazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19288641
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 110441535
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19328839
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281272
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 19550194

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide (CID 19288572) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide is CCn1cc(CNC(=O)CCc2ccccc2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide?
The InChIKey is QGWQCGZOZBUNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-19-12-15(13(2)18-19)11-17-16(20)10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,17,20).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 19288572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).