7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C11H6N3O2S- — CID 7016450

IUPAC7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESO=C([O-])c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C11H7N3O2S/c15-11(16)7-6-13-14-8(3-4-12-10(7)14)9-2-1-5-17-9/h1-6H,(H,15,16)/p-1
InChIKeyOURWKHLDAVYMGO-UHFFFAOYSA-M
MW244.26 g/mol
LogP0.82
Rot. Bonds2

About 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 7016450) has the molecular formula C11H6N3O2S- and a molecular weight of 244.26 g/mol. Its IUPAC name is 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID7016450
Molecular FormulaC11H6N3O2S-
Molecular Weight244.26 g/mol
Exact Mass244.02
IUPAC Name7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESO=C([O-])c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C11H7N3O2S/c15-11(16)7-6-13-14-8(3-4-12-10(7)14)9-2-1-5-17-9/h1-6H,(H,15,16)/p-1
InChIKeyOURWKHLDAVYMGO-UHFFFAOYSA-M
XLogP0.82
TPSA70.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfonylethyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 47079378
N-(2-nitrophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416752
N-(2-cyanophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416757
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19458330
N-(3-chloro-2-methylphenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416628
N-(2,6-dibromo-4-nitrophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416648
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19454409
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19458584
(4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 39004541
N-(3-morpholin-4-ylpropyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416688
N-[2-(4-chlorophenyl)sulfanylphenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416640
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416783

Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 7016450) is 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is O=C([O-])c1cnn2c(-c3cccs3)ccnc12.
What is the InChIKey of 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is OURWKHLDAVYMGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H7N3O2S/c15-11(16)7-6-13-14-8(3-4-12-10(7)14)9-2-1-5-17-9/h1-6H,(H,15,16)/p-1.
What are the key properties of 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 244.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 7016450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).