5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide

C15H20N4O — CID 102705527

IUPAC5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2cnn(C(C)C)c2)cc1N
InChIInChI=1S/C15H20N4O/c1-9(2)19-8-12(7-17-19)18-15(20)13-6-14(16)11(4)5-10(13)3/h5-9H,16H2,1-4H3,(H,18,20)
InChIKeyAYSYBTBHRNAKDH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.92
Rot. Bonds3

About 5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide

5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide (PubChem CID 102705527) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
PubChem CID102705527
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2cnn(C(C)C)c2)cc1N
InChIInChI=1S/C15H20N4O/c1-9(2)19-8-12(7-17-19)18-15(20)13-6-14(16)11(4)5-10(13)3/h5-9H,16H2,1-4H3,(H,18,20)
InChIKeyAYSYBTBHRNAKDH-UHFFFAOYSA-N
XLogP2.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.92
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

2,4-diamino-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 62902803
4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide
CID 65360004
5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
CID 102704929
6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 62902983
6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide
CID 66462563
2-fluoro-N-(1-propan-2-ylpyrazol-4-yl)-5-sulfanylbenzamide
CID 107028830
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 62904126
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
2-chloro-5-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide
CID 103730947
4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 116665663

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide (CID 102705527) is 5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide is Cc1cc(C)c(C(=O)Nc2cnn(C(C)C)c2)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
The InChIKey is AYSYBTBHRNAKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9(2)19-8-12(7-17-19)18-15(20)13-6-14(16)11(4)5-10(13)3/h5-9H,16H2,1-4H3,(H,18,20).
What are the key properties of 5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide is sourced from PubChem (CID 102705527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).