N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide

C14H17N5O2 — CID 103116038

IUPACN-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N(CC(N)=O)Cc2ccccc2N)n1
InChIInChI=1S/C14H17N5O2/c1-18-7-6-12(17-18)14(21)19(9-13(16)20)8-10-4-2-3-5-11(10)15/h2-7H,8-9,15H2,1H3,(H2,16,20)
InChIKeyRQDKSIJHYSAZSE-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.13
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide

N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 103116038) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide
PubChem CID103116038
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N(CC(N)=O)Cc2ccccc2N)n1
InChIInChI=1S/C14H17N5O2/c1-18-7-6-12(17-18)14(21)19(9-13(16)20)8-10-4-2-3-5-11(10)15/h2-7H,8-9,15H2,1H3,(H2,16,20)
InChIKeyRQDKSIJHYSAZSE-UHFFFAOYSA-N
XLogP0.13
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.13
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

N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 62921137
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 43461291
N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 103117952
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593
N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
CID 103915328
N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
CID 55157593
2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
CID 63149898
1-methylpyrazole-3-carboxamide
CID 13464586
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287
N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide
CID 103100909
1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide (CID 103116038) is N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)N(CC(N)=O)Cc2ccccc2N)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is RQDKSIJHYSAZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18-7-6-12(17-18)14(21)19(9-13(16)20)8-10-4-2-3-5-11(10)15/h2-7H,8-9,15H2,1H3,(H2,16,20).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103116038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).