N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H16N4O3S — CID 86839885

IUPACN-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N4O3S/c1-12-14(15-17-8-5-10-20(15)19-12)16(21)18-9-11-24(22,23)13-6-3-2-4-7-13/h2-8,10H,9,11H2,1H3,(H,18,21)
InChIKeyVABAWEVYOWTEDM-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.24
Rot. Bonds5

About N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86839885) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86839885
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N4O3S/c1-12-14(15-17-8-5-10-20(15)19-12)16(21)18-9-11-24(22,23)13-6-3-2-4-7-13/h2-8,10H,9,11H2,1H3,(H,18,21)
InChIKeyVABAWEVYOWTEDM-UHFFFAOYSA-N
XLogP1.24
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86839885) is N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VABAWEVYOWTEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-12-14(15-17-8-5-10-20(15)19-12)16(21)18-9-11-24(22,23)13-6-3-2-4-7-13/h2-8,10H,9,11H2,1H3,(H,18,21).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86839885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).