ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C10H12N4O4S — CID 150498169

IUPACethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(NS(C)(=O)=O)nn2cccnc12
InChIInChI=1S/C10H12N4O4S/c1-3-18-10(15)7-8(13-19(2,16)17)12-14-6-4-5-11-9(7)14/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyHXFVPVHKWDEJFR-UHFFFAOYSA-N
MW284.30 g/mol
LogP0.28
Rot. Bonds4

About ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 150498169) has the molecular formula C10H12N4O4S and a molecular weight of 284.30 g/mol. Its IUPAC name is ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID150498169
Molecular FormulaC10H12N4O4S
Molecular Weight284.30 g/mol
Exact Mass284.06
IUPAC Nameethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(NS(C)(=O)=O)nn2cccnc12
InChIInChI=1S/C10H12N4O4S/c1-3-18-10(15)7-8(13-19(2,16)17)12-14-6-4-5-11-9(7)14/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyHXFVPVHKWDEJFR-UHFFFAOYSA-N
XLogP0.28
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 168899835
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71742950
ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 156904498
ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 165166467
ethyl 2-[4-(dimethylsulfamoyl)-2-fluorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 174236384
pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86846448
diethyl 5-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19462076
1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 133054413
[(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 97066011
2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119050637
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 150498169) is ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(NS(C)(=O)=O)nn2cccnc12.
What is the InChIKey of ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is HXFVPVHKWDEJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S/c1-3-18-10(15)7-8(13-19(2,16)17)12-14-6-4-5-11-9(7)14/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 284.30 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 150498169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).