2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C13H17N5O — CID 61459775

IUPAC2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C13H17N5O/c1-9(8-18-6-2-5-16-18)17-13(19)11-4-3-10(14)7-12(11)15/h2-7,9H,8,14-15H2,1H3,(H,17,19)
InChIKeyVYGYXRSFZCSVJQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.87
Rot. Bonds4

About 2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 61459775) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID61459775
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C13H17N5O/c1-9(8-18-6-2-5-16-18)17-13(19)11-4-3-10(14)7-12(11)15/h2-7,9H,8,14-15H2,1H3,(H,17,19)
InChIKeyVYGYXRSFZCSVJQ-UHFFFAOYSA-N
XLogP0.87
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459817
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103829742
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-sulfanylbenzamide
CID 107024915
2-(ethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62178733
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103994641
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114325720
5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617127

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 61459775) is 2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is CC(Cn1cccn1)NC(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is VYGYXRSFZCSVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(8-18-6-2-5-16-18)17-13(19)11-4-3-10(14)7-12(11)15/h2-7,9H,8,14-15H2,1H3,(H,17,19).
What are the key properties of 2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 61459775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).