methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate

C10H13N5O2 — CID 114251425

IUPACmethyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate
SMILESCCn1ccc(-n2cnc(C(=O)OC)c2N)n1
InChIInChI=1S/C10H13N5O2/c1-3-14-5-4-7(13-14)15-6-12-8(9(15)11)10(16)17-2/h4-6H,3,11H2,1-2H3
InChIKeyNTKXFWKIBURYSI-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.46
Rot. Bonds3

About methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate

methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate (PubChem CID 114251425) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate
PubChem CID114251425
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Namemethyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate
SMILESCCn1ccc(-n2cnc(C(=O)OC)c2N)n1
InChIInChI=1S/C10H13N5O2/c1-3-14-5-4-7(13-14)15-6-12-8(9(15)11)10(16)17-2/h4-6H,3,11H2,1-2H3
InChIKeyNTKXFWKIBURYSI-UHFFFAOYSA-N
XLogP0.46
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-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

methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate
CID 114251426
methyl 5-amino-1-(2,4,5-trichlorophenyl)imidazole-4-carboxylate
CID 103544569
methyl 5-amino-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545395
methyl 5-amino-1-(5-iodo-2-methylphenyl)imidazole-4-carboxylate
CID 114257914
methyl 5-amino-1-(3-chloro-2-fluorophenyl)imidazole-4-carboxylate
CID 103544659
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
CID 103544849
ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
CID 103094737
methyl 5-amino-1-[3-(tert-butylamino)-3-oxopropyl]imidazole-4-carboxylate
CID 103546039
methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate
CID 103545102
methyl 5-amino-1-(2-methyl-3-nitrophenyl)imidazole-4-carboxylate
CID 107810117
methyl 5-amino-1-(5-cyano-2-methylphenyl)imidazole-4-carboxylate
CID 103545288
ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
CID 42647388

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate (CID 114251425) is methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate is CCn1ccc(-n2cnc(C(=O)OC)c2N)n1.
What is the InChIKey of methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate?
The InChIKey is NTKXFWKIBURYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-14-5-4-7(13-14)15-6-12-8(9(15)11)10(16)17-2/h4-6H,3,11H2,1-2H3.
What are the key properties of methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate?
methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate has a molecular weight of 235.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(1-ethylpyrazol-3-yl)imidazole-4-carboxylate is sourced from PubChem (CID 114251425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).