3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide

C17H21ClN4O2 — CID 39947953

IUPAC3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C17H21ClN4O2/c1-4-22(5-2)16(23)11-21(3)17(24)15-10-14(19-20-15)12-6-8-13(18)9-7-12/h6-10H,4-5,11H2,1-3H3,(H,19,20)
InChIKeyXGHYGJIIXAOCDX-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.67
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 39947953) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID39947953
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C17H21ClN4O2/c1-4-22(5-2)16(23)11-21(3)17(24)15-10-14(19-20-15)12-6-8-13(18)9-7-12/h6-10H,4-5,11H2,1-3H3,(H,19,20)
InChIKeyXGHYGJIIXAOCDX-UHFFFAOYSA-N
XLogP2.67
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 39459167
3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228642
2-[butan-2-yl-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]acetic acid
CID 119955102
(4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 12544472
3-(4-bromophenyl)-N-methyl-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 86936191
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 79377189
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-ethyl-N-propylbenzamide
CID 46092116
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515544
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 75392281
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 39947953) is 3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is XGHYGJIIXAOCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-4-22(5-2)16(23)11-21(3)17(24)15-10-14(19-20-15)12-6-8-13(18)9-7-12/h6-10H,4-5,11H2,1-3H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 39947953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).