ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate

C12H15N3O2 — CID 103200564

IUPACethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nccc(C(C)C)n2n1
InChIInChI=1S/C12H15N3O2/c1-4-17-12(16)9-7-11-13-6-5-10(8(2)3)15(11)14-9/h5-8H,4H2,1-3H3
InChIKeyYESNSNOZQSXRLI-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.03
Rot. Bonds3

About ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 103200564) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID103200564
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nameethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nccc(C(C)C)n2n1
InChIInChI=1S/C12H15N3O2/c1-4-17-12(16)9-7-11-13-6-5-10(8(2)3)15(11)14-9/h5-8H,4H2,1-3H3
InChIKeyYESNSNOZQSXRLI-UHFFFAOYSA-N
XLogP2.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-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 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200581
ethyl 7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200619
ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200618
ethyl 5-(cyclobutylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167205929
ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 22831913
ethyl 1-(diethylcarbamoyl)-5-(difluoromethyl)pyrazole-3-carboxylate
CID 68948220
ethyl 7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 24775846
7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200521
ethyl 5-propan-2-ylpyrazine-2-carboxylate
CID 59617996
5-ethoxycarbonyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 34179423
ethane;ethyl formate;ethyl 6-(1-hydroxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 144726716
ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate
CID 137422329

Frequently Asked Questions

What is the IUPAC name of ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 103200564) is ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nccc(C(C)C)n2n1.
What is the InChIKey of ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is YESNSNOZQSXRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-17-12(16)9-7-11-13-6-5-10(8(2)3)15(11)14-9/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 103200564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).