ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C15H13N3O2 — CID 11230936

IUPACethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)12-10-17-18-13(8-9-16-14(12)18)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyHCMSVZGWSYKTPK-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.57
Rot. Bonds3

About ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 11230936) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID11230936
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Nameethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)12-10-17-18-13(8-9-16-14(12)18)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyHCMSVZGWSYKTPK-UHFFFAOYSA-N
XLogP2.57
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 12766264
ethyl 7-(3-isocyanatophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 169354842
(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 55665598
ethyl 7-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 50743685
ethyl 7-[3-[(4-chlorobenzoyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969392
7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855352
ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11198460
ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19279789
dimethyl (E)-2-[3-(3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)anilino]but-2-enedioate
CID 168568057
ethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4777079
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 55665568
ethyl 7-[3-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19474427

Frequently Asked Questions

What is the IUPAC name of ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 11230936) is ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is HCMSVZGWSYKTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-20-15(19)12-10-17-18-13(8-9-16-14(12)18)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 11230936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).