2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H21N5O3S — CID 74250478

IUPAC2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NCCN(C)S(C)(=O)=O)c2n1
InChIInChI=1S/C14H21N5O3S/c1-9-8-10(2)19-13(16-9)12(11(3)17-19)14(20)15-6-7-18(4)23(5,21)22/h8H,6-7H2,1-5H3,(H,15,20)
InChIKeyPUDIQEBWKDMWAH-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.28
Rot. Bonds5

About 2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 74250478) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID74250478
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC Name2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NCCN(C)S(C)(=O)=O)c2n1
InChIInChI=1S/C14H21N5O3S/c1-9-8-10(2)19-13(16-9)12(11(3)17-19)14(20)15-6-7-18(4)23(5,21)22/h8H,6-7H2,1-5H3,(H,15,20)
InChIKeyPUDIQEBWKDMWAH-UHFFFAOYSA-N
XLogP0.28
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119447428
N-[2-(cycloheptylamino)ethyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119620516
2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119236620
2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 120831089
N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122147962
2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118770784
2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide
CID 50960691
2,5,7-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119536193
N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111485768
3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 119220654
2-phenyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119254491
2,5,7-trimethyl-N-[4-[[methyl(propan-2-yl)amino]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167909812

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 74250478) is 2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2nc(C)c(C(=O)NCCN(C)S(C)(=O)=O)c2n1.
What is the InChIKey of 2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PUDIQEBWKDMWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-9-8-10(2)19-13(16-9)12(11(3)17-19)14(20)15-6-7-18(4)23(5,21)22/h8H,6-7H2,1-5H3,(H,15,20).
What are the key properties of 2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 74250478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).