N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide

C11H13ClN4O3S — CID 126826057

IUPACN-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide
SMILESCc1cc2nc(NC(=O)CCS(C)(=O)=O)cc(Cl)n2n1
InChIInChI=1S/C11H13ClN4O3S/c1-7-5-10-13-9(6-8(12)16(10)15-7)14-11(17)3-4-20(2,18)19/h5-6H,3-4H2,1-2H3,(H,13,14,17)
InChIKeyLSIHRJVZXPFPJX-UHFFFAOYSA-N
MW316.77 g/mol
LogP1.06
Rot. Bonds4

About N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide

N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide (PubChem CID 126826057) has the molecular formula C11H13ClN4O3S and a molecular weight of 316.77 g/mol. Its IUPAC name is N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide
PubChem CID126826057
Molecular FormulaC11H13ClN4O3S
Molecular Weight316.77 g/mol
Exact Mass316.04
IUPAC NameN-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide
SMILESCc1cc2nc(NC(=O)CCS(C)(=O)=O)cc(Cl)n2n1
InChIInChI=1S/C11H13ClN4O3S/c1-7-5-10-13-9(6-8(12)16(10)15-7)14-11(17)3-4-20(2,18)19/h5-6H,3-4H2,1-2H3,(H,13,14,17)
InChIKeyLSIHRJVZXPFPJX-UHFFFAOYSA-N
XLogP1.06
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)oxolane-2-carboxamide
CID 126826055
N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35505375
ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate
CID 155896682
N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropanamide
CID 126841142
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250
7-chloro-2,6-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 58206890
N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33147707
5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 88968275
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one
CID 114983951
N-(2-hydroxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 31617297
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33182512
N-(2,4-dimethylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 8776996

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide (CID 126826057) is N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide is Cc1cc2nc(NC(=O)CCS(C)(=O)=O)cc(Cl)n2n1.
What is the InChIKey of N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide?
The InChIKey is LSIHRJVZXPFPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3S/c1-7-5-10-13-9(6-8(12)16(10)15-7)14-11(17)3-4-20(2,18)19/h5-6H,3-4H2,1-2H3,(H,13,14,17).
What are the key properties of N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide?
N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide has a molecular weight of 316.77 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 126826057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).