ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate

C10H14N4O3 — CID 172857342

IUPACethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)N1C(C)=NC2=CN(O)NC2=C1C
InChIInChI=1S/C10H14N4O3/c1-4-17-10(15)14-6(2)9-8(11-7(14)3)5-13(16)12-9/h5,12,16H,4H2,1-3H3
InChIKeyYWVOTNVLZAMQRT-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.16
Rot. Bonds1

About ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate

ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate (PubChem CID 172857342) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate
PubChem CID172857342
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Nameethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)N1C(C)=NC2=CN(O)NC2=C1C
InChIInChI=1S/C10H14N4O3/c1-4-17-10(15)14-6(2)9-8(11-7(14)3)5-13(16)12-9/h5,12,16H,4H2,1-3H3
InChIKeyYWVOTNVLZAMQRT-UHFFFAOYSA-N
XLogP1.16
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate (CID 172857342) is ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate is CCOC(=O)N1C(C)=NC2=CN(O)NC2=C1C.
What is the InChIKey of ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate?
The InChIKey is YWVOTNVLZAMQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-4-17-10(15)14-6(2)9-8(11-7(14)3)5-13(16)12-9/h5,12,16H,4H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate?
ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate has a molecular weight of 238.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-5,7-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 172857342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).