1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide

C19H20N4O2S — CID 9480877

IUPAC1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H20N4O2S/c1-22(2)17(24)11-20-19(25)15-13-23(12-14-7-4-3-5-8-14)21-18(15)16-9-6-10-26-16/h3-10,13H,11-12H2,1-2H3,(H,20,25)
InChIKeyCEQZCMQTWSVMQP-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.48
Rot. Bonds6

About 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide

1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 9480877) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID9480877
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H20N4O2S/c1-22(2)17(24)11-20-19(25)15-13-23(12-14-7-4-3-5-8-14)21-18(15)16-9-6-10-26-16/h3-10,13H,11-12H2,1-2H3,(H,20,25)
InChIKeyCEQZCMQTWSVMQP-UHFFFAOYSA-N
XLogP2.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 9360117
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55846538
1-benzyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46592121
1-benzyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46434281
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56586324
1-benzyl-N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 29352915
1-benzyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46454982
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282130
1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 9326455
1-benzyl-N-[3-(2-methylpropoxy)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24628977

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide (CID 9480877) is 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide is CN(C)C(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is CEQZCMQTWSVMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-22(2)17(24)11-20-19(25)15-13-23(12-14-7-4-3-5-8-14)21-18(15)16-9-6-10-26-16/h3-10,13H,11-12H2,1-2H3,(H,20,25).
What are the key properties of 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 9480877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).