3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide

C14H19N5O — CID 104616472

IUPAC3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
SMILESCc1[nH]nc(NC(=O)c2ccc(N(C)C)c(N)c2)c1C
InChIInChI=1S/C14H19N5O/c1-8-9(2)17-18-13(8)16-14(20)10-5-6-12(19(3)4)11(15)7-10/h5-7H,15H2,1-4H3,(H2,16,17,18,20)
InChIKeySCXHHQILMMACIO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.93
Rot. Bonds3

About 3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide

3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide (PubChem CID 104616472) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
PubChem CID104616472
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
SMILESCc1[nH]nc(NC(=O)c2ccc(N(C)C)c(N)c2)c1C
InChIInChI=1S/C14H19N5O/c1-8-9(2)17-18-13(8)16-14(20)10-5-6-12(19(3)4)11(15)7-10/h5-7H,15H2,1-4H3,(H2,16,17,18,20)
InChIKeySCXHHQILMMACIO-UHFFFAOYSA-N
XLogP1.93
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 104616482
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 112696158
3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 61090939
3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide
CID 61091528
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618763
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 104618861
3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
CID 50851045
3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 115594898
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042477

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide (CID 104616472) is 3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide is Cc1[nH]nc(NC(=O)c2ccc(N(C)C)c(N)c2)c1C.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is SCXHHQILMMACIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8-9(2)17-18-13(8)16-14(20)10-5-6-12(19(3)4)11(15)7-10/h5-7H,15H2,1-4H3,(H2,16,17,18,20).
What are the key properties of 3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104616472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).