4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide

C14H17N5O2 — CID 102805519

IUPAC4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
SMILESCc1nn(C)cc1NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H17N5O2/c1-9-12(8-19(2)18-9)17-13(20)7-16-14(21)10-3-5-11(15)6-4-10/h3-6,8H,7,15H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyLVGHLIXIZJTGKW-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.68
Rot. Bonds4

About 4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide

4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide (PubChem CID 102805519) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
PubChem CID102805519
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
SMILESCc1nn(C)cc1NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H17N5O2/c1-9-12(8-19(2)18-9)17-13(20)7-16-14(21)10-3-5-11(15)6-4-10/h3-6,8H,7,15H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyLVGHLIXIZJTGKW-UHFFFAOYSA-N
XLogP0.68
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
CID 102805605
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
CID 102807314
N-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide
CID 63280729
4-amino-N-[2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]benzamide
CID 61003098
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide (CID 102805519) is 4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide is Cc1nn(C)cc1NC(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is LVGHLIXIZJTGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-12(8-19(2)18-9)17-13(20)7-16-14(21)10-3-5-11(15)6-4-10/h3-6,8H,7,15H2,1-2H3,(H,16,21)(H,17,20).
What are the key properties of 4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide?
4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 287.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 102805519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).