ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate

C12H14ClN3O2 — CID 59427791

IUPACethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
SMILESCCOC(=O)CCc1c(C)nc2ccnn2c1Cl
InChIInChI=1S/C12H14ClN3O2/c1-3-18-11(17)5-4-9-8(2)15-10-6-7-14-16(10)12(9)13/h6-7H,3-5H2,1-2H3
InChIKeyRZFCYZLAILIOSL-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.19
Rot. Bonds4

About ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate

ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate (PubChem CID 59427791) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
PubChem CID59427791
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Nameethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
SMILESCCOC(=O)CCc1c(C)nc2ccnn2c1Cl
InChIInChI=1S/C12H14ClN3O2/c1-3-18-11(17)5-4-9-8(2)15-10-6-7-14-16(10)12(9)13/h6-7H,3-5H2,1-2H3
InChIKeyRZFCYZLAILIOSL-UHFFFAOYSA-N
XLogP2.19
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate 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 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate?
The IUPAC name of ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate (CID 59427791) is ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate.
What is the SMILES notation for ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate?
The canonical SMILES for ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate is CCOC(=O)CCc1c(C)nc2ccnn2c1Cl.
What is the InChIKey of ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate?
The InChIKey is RZFCYZLAILIOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-3-18-11(17)5-4-9-8(2)15-10-6-7-14-16(10)12(9)13/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate?
ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate has a molecular weight of 267.72 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate is sourced from PubChem (CID 59427791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).