ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

C19H15N3O2S — CID 67788100

IUPACethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3cc(-c4ccccc4)cs3)cnn2c1
InChIInChI=1S/C19H15N3O2S/c1-2-24-19(23)15-9-20-18-16(10-21-22(18)11-15)17-8-14(12-25-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeySZMCYGQEOXPTCK-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.30
Rot. Bonds4

About ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 67788100) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID67788100
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Nameethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3cc(-c4ccccc4)cs3)cnn2c1
InChIInChI=1S/C19H15N3O2S/c1-2-24-19(23)15-9-20-18-16(10-21-22(18)11-15)17-8-14(12-25-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeySZMCYGQEOXPTCK-UHFFFAOYSA-N
XLogP4.30
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;ethyl 5-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxylate;triphenylphosphane
CID 91283427
ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate
CID 46210366
ethyl 3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131389867
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
3-(4-phenylthiophen-2-yl)-6-(2,2,2-trifluoro-1-hydroxyethylidene)pyrazolo[1,5-a]pyrimidin-7-one
CID 173343478
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate
CID 25176705
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate
CID 121464913
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 1-(2-acetylphenyl)pyrazole-4-carboxylate
CID 81499002
ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate
CID 59419625
ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 134853494

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 67788100) is ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(-c3cc(-c4ccccc4)cs3)cnn2c1.
What is the InChIKey of ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is SZMCYGQEOXPTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-2-24-19(23)15-9-20-18-16(10-21-22(18)11-15)17-8-14(12-25-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 349.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 67788100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).