3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C15H21N5O — CID 61459817

IUPAC3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C15H21N5O/c1-11(10-20-8-4-7-17-20)18-15(21)12-5-6-14(19(2)3)13(16)9-12/h4-9,11H,10,16H2,1-3H3,(H,18,21)
InChIKeyAVRHUDMUZOPNMX-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.35
Rot. Bonds5

About 3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 61459817) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID61459817
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C15H21N5O/c1-11(10-20-8-4-7-17-20)18-15(21)12-5-6-14(19(2)3)13(16)9-12/h4-9,11H,10,16H2,1-3H3,(H,18,21)
InChIKeyAVRHUDMUZOPNMX-UHFFFAOYSA-N
XLogP1.35
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114325720
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607050
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607203
3-fluoro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62680932
4-chloro-3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61041075
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116663571

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 61459817) is 3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is CC(Cn1cccn1)NC(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is AVRHUDMUZOPNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(10-20-8-4-7-17-20)18-15(21)12-5-6-14(19(2)3)13(16)9-12/h4-9,11H,10,16H2,1-3H3,(H,18,21).
What are the key properties of 3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide has a molecular weight of 287.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 61459817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).