N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide

C15H20N4O — CID 19474486

IUPACN-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C15H20N4O/c1-4-19(5-2)14-8-6-13(7-9-14)17-15(20)12-10-16-18(3)11-12/h6-11H,4-5H2,1-3H3,(H,17,20)
InChIKeyGJLTWDXBDHNJJT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.52
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide

N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 19474486) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID19474486
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C15H20N4O/c1-4-19(5-2)14-8-6-13(7-9-14)17-15(20)12-10-16-18(3)11-12/h6-11H,4-5H2,1-3H3,(H,17,20)
InChIKeyGJLTWDXBDHNJJT-UHFFFAOYSA-N
XLogP2.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.52
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-[4-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110695872
3-[4-[[4-(diethylamino)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471097
N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 64794504
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 47143175
1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 106909878
N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 9183242
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461808
4-(diethylamino)-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 51094945
N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461785
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 9303499

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide (CID 19474486) is N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnn(C)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is GJLTWDXBDHNJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-19(5-2)14-8-6-13(7-9-14)17-15(20)12-10-16-18(3)11-12/h6-11H,4-5H2,1-3H3,(H,17,20).
What are the key properties of N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide?
N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).