N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide

C14H17N5O2 — CID 103100909

IUPACN-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1ccn(-c2ccc(N)cc2)n1
InChIInChI=1S/C14H17N5O2/c1-2-18(9-13(16)20)14(21)12-7-8-19(17-12)11-5-3-10(15)4-6-11/h3-8H,2,9,15H2,1H3,(H2,16,20)
InChIKeyRSJGPUFDYXVZMO-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.40
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide

N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide (PubChem CID 103100909) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide
PubChem CID103100909
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1ccn(-c2ccc(N)cc2)n1
InChIInChI=1S/C14H17N5O2/c1-2-18(9-13(16)20)14(21)12-7-8-19(17-12)11-5-3-10(15)4-6-11/h3-8H,2,9,15H2,1H3,(H2,16,20)
InChIKeyRSJGPUFDYXVZMO-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide
CID 61115162
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide
CID 62700733
(1-amino-1-oxobutan-2-yl) 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 62899699
methoxymethyl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 65365026
[2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61314891
1-(4-aminophenyl)-N-(3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 106327787
1-(4-aminophenyl)-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 43475362
methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 60520905
(3-amino-2-methyl-3-oxopropyl) 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61315652
1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 63981332
ethyl 2-[ethyl-[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]acetate
CID 78902101

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide (CID 103100909) is N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide is CCN(CC(N)=O)C(=O)c1ccn(-c2ccc(N)cc2)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide?
The InChIKey is RSJGPUFDYXVZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-18(9-13(16)20)14(21)12-7-8-19(17-12)11-5-3-10(15)4-6-11/h3-8H,2,9,15H2,1H3,(H2,16,20).
What are the key properties of N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide?
N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.40, 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)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 103100909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).