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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87045926
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712
2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119050637
N-[(2-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111471418
N-[(1-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111333145
2-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71934142
N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
CID 60515386
N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568768
N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
CID 21034169
2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 86822894
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111451685

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).