N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide

C18H24N4O2 — CID 39947866

IUPACN-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C18H24N4O2/c1-5-21(6-2)17(23)13-20(4)18(24)16-12-19-22(14(16)3)15-10-8-7-9-11-15/h7-12H,5-6,13H2,1-4H3
InChIKeyFOHCVMXCUKINTG-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.12
Rot. Bonds6

About N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 39947866) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID39947866
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C18H24N4O2/c1-5-21(6-2)17(23)13-20(4)18(24)16-12-19-22(14(16)3)15-10-8-7-9-11-15/h7-12H,5-6,13H2,1-4H3
InChIKeyFOHCVMXCUKINTG-UHFFFAOYSA-N
XLogP2.12
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39948043
3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119191202
N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 78863932
1-(3-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 55575572
N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 134060993
2-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]-ethylamino]acetic acid
CID 119206292
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34468319
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 39947866) is N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is FOHCVMXCUKINTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-21(6-2)17(23)13-20(4)18(24)16-12-19-22(14(16)3)15-10-8-7-9-11-15/h7-12H,5-6,13H2,1-4H3.
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 39947866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).