N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide

C17H22N4O2 — CID 39459167

IUPACN-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H22N4O2/c1-4-21(5-2)16(22)12-20(3)17(23)15-11-14(18-19-15)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3,(H,18,19)
InChIKeyPXRBUZMJPROBNZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.02
Rot. Bonds6

About N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 39459167) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID39459167
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H22N4O2/c1-4-21(5-2)16(22)12-20(3)17(23)15-11-14(18-19-15)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3,(H,18,19)
InChIKeyPXRBUZMJPROBNZ-UHFFFAOYSA-N
XLogP2.02
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 39947953
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 79377189
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 63928491
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166327972
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 166183764
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135702756
N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide
CID 25474956
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide (CID 39459167) is N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is PXRBUZMJPROBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-21(5-2)16(22)12-20(3)17(23)15-11-14(18-19-15)13-9-7-6-8-10-13/h6-11H,4-5,12H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 39459167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).