[2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate

C14H16N4O3 — CID 61314891

IUPAC[2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate
SMILESCCNC(=O)COC(=O)c1ccn(-c2ccc(N)cc2)n1
InChIInChI=1S/C14H16N4O3/c1-2-16-13(19)9-21-14(20)12-7-8-18(17-12)11-5-3-10(15)4-6-11/h3-8H,2,9,15H2,1H3,(H,16,19)
InChIKeyNDISGELXKCKIID-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.75
Rot. Bonds5

About [2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate

[2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate (PubChem CID 61314891) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate
PubChem CID61314891
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate
SMILESCCNC(=O)COC(=O)c1ccn(-c2ccc(N)cc2)n1
InChIInChI=1S/C14H16N4O3/c1-2-16-13(19)9-21-14(20)12-7-8-18(17-12)11-5-3-10(15)4-6-11/h3-8H,2,9,15H2,1H3,(H,16,19)
InChIKeyNDISGELXKCKIID-UHFFFAOYSA-N
XLogP0.75
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methoxymethyl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 65365026
(1-amino-1-oxobutan-2-yl) 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 62899699
(3-amino-2-methyl-3-oxopropyl) 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61315652
ethyl 1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 154455563
1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide
CID 62700733
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
1-(4-aminophenyl)-N-(3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 106327787
1-(4-aminophenyl)-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 43475362
N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide
CID 103100909
thiophen-2-ylmethyl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61315274
N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 55650471
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide
CID 61115162

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate (CID 61314891) is [2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate is CCNC(=O)COC(=O)c1ccn(-c2ccc(N)cc2)n1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate?
The InChIKey is NDISGELXKCKIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-16-13(19)9-21-14(20)12-7-8-18(17-12)11-5-3-10(15)4-6-11/h3-8H,2,9,15H2,1H3,(H,16,19).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate?
[2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 61314891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).