2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide

C14H16N4O2 — CID 110690082

IUPAC2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C(N)=O)n1
InChIInChI=1S/C14H16N4O2/c1-9-7-10(2)18(17-9)8-13(19)16-12-6-4-3-5-11(12)14(15)20/h3-7H,8H2,1-2H3,(H2,15,20)(H,16,19)
InChIKeyILAMDKJQKUIORL-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.24
Rot. Bonds4

About 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide

2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide (PubChem CID 110690082) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
PubChem CID110690082
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C(N)=O)n1
InChIInChI=1S/C14H16N4O2/c1-9-7-10(2)18(17-9)8-13(19)16-12-6-4-3-5-11(12)14(15)20/h3-7H,8H2,1-2H3,(H2,15,20)(H,16,19)
InChIKeyILAMDKJQKUIORL-UHFFFAOYSA-N
XLogP1.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110690077
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzenesulfonyl fluoride
CID 116814136
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740437
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60802220
N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43376162
N-(5-bromo-2-methylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43806572
2-[[2-(4-cyano-5-methyltriazol-1-yl)acetyl]amino]benzamide
CID 82202082
ethyl 2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]benzoate
CID 90495468
N-(2-amino-5-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63257950
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenoxy)phenyl]acetamide
CID 52725356
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9399186

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide (CID 110690082) is 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide is Cc1cc(C)n(CC(=O)Nc2ccccc2C(N)=O)n1.
What is the InChIKey of 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide?
The InChIKey is ILAMDKJQKUIORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-7-10(2)18(17-9)8-13(19)16-12-6-4-3-5-11(12)14(15)20/h3-7H,8H2,1-2H3,(H2,15,20)(H,16,19).
What are the key properties of 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide?
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide has a molecular weight of 272.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 110690082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).