ethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate

C12H12ClN3O2 — CID 114514649

IUPACethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(C3CC3)cc(Cl)n2n1
InChIInChI=1S/C12H12ClN3O2/c1-2-18-12(17)9-6-11-14-8(7-3-4-7)5-10(13)16(11)15-9/h5-7H,2-4H2,1H3
InChIKeyBEWYRHGJJDMPSM-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.44
Rot. Bonds3

About ethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 114514649) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is ethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID114514649
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Nameethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(C3CC3)cc(Cl)n2n1
InChIInChI=1S/C12H12ClN3O2/c1-2-18-12(17)9-6-11-14-8(7-3-4-7)5-10(13)16(11)15-9/h5-7H,2-4H2,1H3
InChIKeyBEWYRHGJJDMPSM-UHFFFAOYSA-N
XLogP2.44
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.44
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-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 114514649) is ethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(C3CC3)cc(Cl)n2n1.
What is the InChIKey of ethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is BEWYRHGJJDMPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-18-12(17)9-6-11-14-8(7-3-4-7)5-10(13)16(11)15-9/h5-7H,2-4H2,1H3.
What are the key properties of ethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 265.70 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 114514649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).