ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate

C18H17N3O2 — CID 75465305

IUPACethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H17N3O2/c1-2-23-18(22)16-10-14(13-8-9-13)19-17-11-15(20-21(16)17)12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9H2,1H3
InChIKeySTIVJORLLBGFIZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.45
Rot. Bonds4

About ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate

ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 75465305) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID75465305
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Nameethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H17N3O2/c1-2-23-18(22)16-10-14(13-8-9-13)19-17-11-15(20-21(16)17)12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9H2,1H3
InChIKeySTIVJORLLBGFIZ-UHFFFAOYSA-N
XLogP3.45
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 75465305) is ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate is CCOC(=O)c1cc(C2CC2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is STIVJORLLBGFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-23-18(22)16-10-14(13-8-9-13)19-17-11-15(20-21(16)17)12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9H2,1H3.
What are the key properties of ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 75465305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).