4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide

C13H16N4O — CID 16784587

IUPAC4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
SMILESCc1cc(NC(=O)c2ccc(N)c(C)c2)n(C)n1
InChIInChI=1S/C13H16N4O/c1-8-6-10(4-5-11(8)14)13(18)15-12-7-9(2)16-17(12)3/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyKWJWNBXMRIWXRN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.87
Rot. Bonds2

About 4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide

4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide (PubChem CID 16784587) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
PubChem CID16784587
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
SMILESCc1cc(NC(=O)c2ccc(N)c(C)c2)n(C)n1
InChIInChI=1S/C13H16N4O/c1-8-6-10(4-5-11(8)14)13(18)15-12-7-9(2)16-17(12)3/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyKWJWNBXMRIWXRN-UHFFFAOYSA-N
XLogP1.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 65349670
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614459
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46412653
N-(2,5-dimethylpyrazol-3-yl)-3-fluoro-4-nitrobenzamide
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N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325652
4-amino-N-(2,5-dimethylpyrazol-3-yl)-5-methylthiophene-2-carboxamide
CID 61090609
N-(2,5-dimethylpyrazol-3-yl)-4-propan-2-yloxybenzamide
CID 45284563
3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide
CID 61209522
N-(2,5-dimethylpyrazol-3-yl)-1H-indazole-6-carboxamide
CID 62907185
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CID 23474771

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide (CID 16784587) is 4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide is Cc1cc(NC(=O)c2ccc(N)c(C)c2)n(C)n1.
What is the InChIKey of 4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide?
The InChIKey is KWJWNBXMRIWXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-6-10(4-5-11(8)14)13(18)15-12-7-9(2)16-17(12)3/h4-7H,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide?
4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide has a molecular weight of 244.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide is sourced from PubChem (CID 16784587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).