ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate

C12H15N5O2 — CID 165488403

IUPACethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC)c(N)c1-c1ncccn1
InChIInChI=1S/C12H15N5O2/c1-3-17-10(13)8(11-14-6-5-7-15-11)9(16-17)12(18)19-4-2/h5-7H,3-4,13H2,1-2H3
InChIKeyUTRXKHZVPCQMBR-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.12
Rot. Bonds4

About ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate

ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate (PubChem CID 165488403) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate
PubChem CID165488403
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Nameethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC)c(N)c1-c1ncccn1
InChIInChI=1S/C12H15N5O2/c1-3-17-10(13)8(11-14-6-5-7-15-11)9(16-17)12(18)19-4-2/h5-7H,3-4,13H2,1-2H3
InChIKeyUTRXKHZVPCQMBR-UHFFFAOYSA-N
XLogP1.12
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-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

ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143211364
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081
ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate
CID 165463383
ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
CID 103094737
ethyl 5-(aminomethyl)-1-(pyrimidin-2-ylmethyl)triazole-4-carboxylate
CID 103110946
ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate
CID 170337369
ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
CID 42647388
ethyl 5-tert-butyl-1-(pyrimidin-2-ylmethyl)triazole-4-carboxylate
CID 103106284
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate (CID 165488403) is ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate is CCOC(=O)c1nn(CC)c(N)c1-c1ncccn1.
What is the InChIKey of ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate?
The InChIKey is UTRXKHZVPCQMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-17-10(13)8(11-14-6-5-7-15-11)9(16-17)12(18)19-4-2/h5-7H,3-4,13H2,1-2H3.
What are the key properties of ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate?
ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate has a molecular weight of 261.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate is sourced from PubChem (CID 165488403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).