ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C15H18ClN3O2 — CID 166154626

IUPACethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(CC3CCCC3)cc(Cl)n2n1
InChIInChI=1S/C15H18ClN3O2/c1-2-21-15(20)12-9-14-17-11(7-10-5-3-4-6-10)8-13(16)19(14)18-12/h8-10H,2-7H2,1H3
InChIKeyPWXHUEFSVHIALI-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.29
Rot. Bonds4

About ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 166154626) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID166154626
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Nameethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(CC3CCCC3)cc(Cl)n2n1
InChIInChI=1S/C15H18ClN3O2/c1-2-21-15(20)12-9-14-17-11(7-10-5-3-4-6-10)8-13(16)19(14)18-12/h8-10H,2-7H2,1H3
InChIKeyPWXHUEFSVHIALI-UHFFFAOYSA-N
XLogP3.29
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 166154626) is ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(CC3CCCC3)cc(Cl)n2n1.
What is the InChIKey of ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is PWXHUEFSVHIALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-2-21-15(20)12-9-14-17-11(7-10-5-3-4-6-10)8-13(16)19(14)18-12/h8-10H,2-7H2,1H3.
What are the key properties of ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 307.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-5-(cyclopentylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 166154626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).