ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate

C11H12ClN3O2 — CID 91515335

IUPACethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate
SMILESCCOC(=O)C(C)c1cc(Cl)nc2ccnn12
InChIInChI=1S/C11H12ClN3O2/c1-3-17-11(16)7(2)8-6-9(12)14-10-4-5-13-15(8)10/h4-7H,3H2,1-2H3
InChIKeyRCIFHMGMHBFXNX-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.05
Rot. Bonds3

About ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate

ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate (PubChem CID 91515335) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate
PubChem CID91515335
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Nameethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate
SMILESCCOC(=O)C(C)c1cc(Cl)nc2ccnn12
InChIInChI=1S/C11H12ClN3O2/c1-3-17-11(16)7(2)8-6-9(12)14-10-4-5-13-15(8)10/h4-7H,3H2,1-2H3
InChIKeyRCIFHMGMHBFXNX-UHFFFAOYSA-N
XLogP2.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate
CID 66964174
Tert-butyl 2-cyano-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetate;ethane
CID 177236156
Tert-butyl 2-cyano-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetate
CID 177236157
2-[7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanoic acid
CID 84729514
Ethyl 7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 10658561
5-(3-Acetoxybutyl)-7-chloropyrazolo[1,5-a]pyrimidine
CID 19608373
7-Chloro-5-ethoxycarbonylmethyl-s-triazolo[1,5-a]pyrimidine
CID 19989192
7-Chloro-5-(tetrahydrofuran-3-yl)pyrazolo[1,5-a]pyrimidine
CID 21065749
3-Bromo-7-chloro-5-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine
CID 21066433
2-(Pyrazolo[1,5-A]pyrimidin-2-YL)acetic acid
CID 49761509
Ethyl 3-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 59427791
Ethyl 3-(3-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 59427821

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate?
The IUPAC name of ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate (CID 91515335) is ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate.
What is the SMILES notation for ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate?
The canonical SMILES for ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate is CCOC(=O)C(C)c1cc(Cl)nc2ccnn12.
What is the InChIKey of ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate?
The InChIKey is RCIFHMGMHBFXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-3-17-11(16)7(2)8-6-9(12)14-10-4-5-13-15(8)10/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate?
ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate has a molecular weight of 253.69 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)propanoate is sourced from PubChem (CID 91515335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).