2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide

C13H17N5O — CID 62102860

IUPAC2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cn2ccc(N)n2)cc1
InChIInChI=1S/C13H17N5O/c1-17(2)11-5-3-10(4-6-11)15-13(19)9-18-8-7-12(14)16-18/h3-8H,9H2,1-2H3,(H2,14,16)(H,15,19)
InChIKeyOWPLEDGEATYEHK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.17
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide

2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 62102860) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID62102860
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cn2ccc(N)n2)cc1
InChIInChI=1S/C13H17N5O/c1-17(2)11-5-3-10(4-6-11)15-13(19)9-18-8-7-12(14)16-18/h3-8H,9H2,1-2H3,(H2,14,16)(H,15,19)
InChIKeyOWPLEDGEATYEHK-UHFFFAOYSA-N
XLogP1.17
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 62102213
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 62810670
2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316767
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
2-(3-aminopyrazol-1-yl)-N-quinolin-3-ylacetamide
CID 62112556
N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064222
2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 55036060
2-(5-amino-2-oxo-1-pyridinyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 62815302
2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 63819555
N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
CID 62101709
2-(3-aminopyrazol-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 62101395

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide (CID 62102860) is 2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)Cn2ccc(N)n2)cc1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is OWPLEDGEATYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17(2)11-5-3-10(4-6-11)15-13(19)9-18-8-7-12(14)16-18/h3-8H,9H2,1-2H3,(H2,14,16)(H,15,19).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 62102860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).