ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate

C8H14N4O2 — CID 102534352

IUPACethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate
SMILESCCNc1n[nH]c(N)c1C(=O)OCC
InChIInChI=1S/C8H14N4O2/c1-3-10-7-5(6(9)11-12-7)8(13)14-4-2/h3-4H2,1-2H3,(H4,9,10,11,12)
InChIKeyGLDYRLKQLJXHPV-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.60
Rot. Bonds4

About ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate

ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate (PubChem CID 102534352) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate
PubChem CID102534352
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nameethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate
SMILESCCNc1n[nH]c(N)c1C(=O)OCC
InChIInChI=1S/C8H14N4O2/c1-3-10-7-5(6(9)11-12-7)8(13)14-4-2/h3-4H2,1-2H3,(H4,9,10,11,12)
InChIKeyGLDYRLKQLJXHPV-UHFFFAOYSA-N
XLogP0.60
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-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

ethyl 5-amino-3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylate
CID 2315464
ethyl 3,5-diamino-1H-pyrazole-4-carboxylate
CID 4126248
CID 89121667
CID 89121667
ethyl 3-(benzylamino)-5-methyl-1H-pyrazole-4-carboxylate
CID 852511
ethyl 3-amino-5-ethyl-1H-pyrazole-4-carboxylate
CID 15186424
4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate
CID 10657654
ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
CID 14171364
ethyl 5-methyl-3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylate
CID 110461283
4-O-ethyl 2-O-methyl 3-amino-5-(ethylamino)thiophene-2,4-dicarboxylate
CID 103424477
ethyl 4-[(5-amino-3-anilino-1H-pyrazole-4-carbonyl)amino]benzoate
CID 155804065
ethyl 5-methyl-3-(3-methylbutanoylamino)-1H-pyrazole-4-carboxylate
CID 110460684
ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate
CID 110479738

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate (CID 102534352) is ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate is CCNc1n[nH]c(N)c1C(=O)OCC.
What is the InChIKey of ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate?
The InChIKey is GLDYRLKQLJXHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-10-7-5(6(9)11-12-7)8(13)14-4-2/h3-4H2,1-2H3,(H4,9,10,11,12).
What are the key properties of ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate?
ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate has a molecular weight of 198.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 102534352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).