N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide

C16H22N4O — CID 19522697

IUPACN-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2nccc2C)cc1
InChIInChI=1S/C16H22N4O/c1-4-19(5-2)15-8-6-14(7-9-15)18-16(21)12-20-13(3)10-11-17-20/h6-11H,4-5,12H2,1-3H3,(H,18,21)
InChIKeyBDNGCPVBZMGOCX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.68
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide

N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 19522697) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID19522697
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2nccc2C)cc1
InChIInChI=1S/C16H22N4O/c1-4-19(5-2)15-8-6-14(7-9-15)18-16(21)12-20-13(3)10-11-17-20/h6-11H,4-5,12H2,1-3H3,(H,18,21)
InChIKeyBDNGCPVBZMGOCX-UHFFFAOYSA-N
XLogP2.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522722
2-[3-[4-(diethylamino)anilino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492024
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(diethylamino)phenyl]acetamide
CID 19523000
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553830
N-[4-(diethylamino)phenyl]-2-(propylamino)acetamide
CID 60648364
2-(5-methylpyrazol-1-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 35762634
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
N-(5-bromo-2-pyridinyl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522706

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide (CID 19522697) is N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide is CCN(CC)c1ccc(NC(=O)Cn2nccc2C)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is BDNGCPVBZMGOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-19(5-2)15-8-6-14(7-9-15)18-16(21)12-20-13(3)10-11-17-20/h6-11H,4-5,12H2,1-3H3,(H,18,21).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide?
N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19522697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).