ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate

C18H25N3O2 — CID 167205844

IUPACethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(C3CCCCCC3)cc(CC)n2n1
InChIInChI=1S/C18H25N3O2/c1-3-14-11-15(13-9-7-5-6-8-10-13)19-17-12-16(20-21(14)17)18(22)23-4-2/h11-13H,3-10H2,1-2H3
InChIKeyPDFOVCMCLQDXKH-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.91
Rot. Bonds4

About ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 167205844) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID167205844
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Nameethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(C3CCCCCC3)cc(CC)n2n1
InChIInChI=1S/C18H25N3O2/c1-3-14-11-15(13-9-7-5-6-8-10-13)19-17-12-16(20-21(14)17)18(22)23-4-2/h11-13H,3-10H2,1-2H3
InChIKeyPDFOVCMCLQDXKH-UHFFFAOYSA-N
XLogP3.91
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167205842
butane;ethane;ethyl 1-cyclohexyl-5-ethylpyrazole-3-carboxylate
CID 143116712
ethyl 5-(cyclohexylmethyl)-7-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167206190
ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate
CID 167875578
ethyl 5-(2-cyclopentylethyl)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167206308
ethyl 5-(4,4-dimethylcyclohexyl)-7-(N,2,6-trimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 134280577
ethyl 5-(cyclobutylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167205929
ethyl 7-prop-1-en-2-yl-5-spiro[2.5]octan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167206219
7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167206273
ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514655
ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate
CID 118617465
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 167205844) is ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(C3CCCCCC3)cc(CC)n2n1.
What is the InChIKey of ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is PDFOVCMCLQDXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-14-11-15(13-9-7-5-6-8-10-13)19-17-12-16(20-21(14)17)18(22)23-4-2/h11-13H,3-10H2,1-2H3.
What are the key properties of ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 315.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 167205844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).