3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide

C15H20N4O — CID 102805605

IUPAC3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
SMILESCc1nn(C)cc1NC(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C15H20N4O/c1-10(12-4-6-13(16)7-5-12)8-15(20)17-14-9-19(3)18-11(14)2/h4-7,9-10H,8,16H2,1-3H3,(H,17,20)
InChIKeyLBINSZMSBUNNJT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.44
Rot. Bonds4

About 3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide

3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide (PubChem CID 102805605) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
PubChem CID102805605
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
SMILESCc1nn(C)cc1NC(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C15H20N4O/c1-10(12-4-6-13(16)7-5-12)8-15(20)17-14-9-19(3)18-11(14)2/h4-7,9-10H,8,16H2,1-3H3,(H,17,20)
InChIKeyLBINSZMSBUNNJT-UHFFFAOYSA-N
XLogP2.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.44
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

4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
CID 102805519
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
CID 104502050
3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide
CID 104502828
3-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)butanamide
CID 104502253
3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 104502076
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide
CID 104502905
4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide
CID 114227576
3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 104501972
3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide
CID 104502256
3-(4-aminophenyl)-N-(1,2-oxazol-3-yl)butanamide
CID 104502578
3-(4-fluorophenyl)-N-[1-methyl-3-(2-methylpyrazol-3-yl)pyrazol-4-yl]butanamide
CID 139018058

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide (CID 102805605) is 3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide is Cc1nn(C)cc1NC(=O)CC(C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide?
The InChIKey is LBINSZMSBUNNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(12-4-6-13(16)7-5-12)8-15(20)17-14-9-19(3)18-11(14)2/h4-7,9-10H,8,16H2,1-3H3,(H,17,20).
What are the key properties of 3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide?
3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide is sourced from PubChem (CID 102805605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).