1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide

C15H18N4O2 — CID 175986082

IUPAC1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide
SMILESCN(C)C(=O)Cc1nn(Cc2ccccc2)cc1C(N)=O
InChIInChI=1S/C15H18N4O2/c1-18(2)14(20)8-13-12(15(16)21)10-19(17-13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,16,21)
InChIKeyNDMOZARPWFBSND-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.66
Rot. Bonds5

About 1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide

1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide (PubChem CID 175986082) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide
PubChem CID175986082
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide
SMILESCN(C)C(=O)Cc1nn(Cc2ccccc2)cc1C(N)=O
InChIInChI=1S/C15H18N4O2/c1-18(2)14(20)8-13-12(15(16)21)10-19(17-13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,16,21)
InChIKeyNDMOZARPWFBSND-UHFFFAOYSA-N
XLogP0.66
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide (CID 175986082) is 1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide is CN(C)C(=O)Cc1nn(Cc2ccccc2)cc1C(N)=O.
What is the InChIKey of 1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide?
The InChIKey is NDMOZARPWFBSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18(2)14(20)8-13-12(15(16)21)10-19(17-13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,16,21).
What are the key properties of 1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide?
1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(dimethylamino)-2-oxoethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 175986082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).