5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H19N5O3S — CID 58063170

IUPAC5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccn2ncc(C(=O)NC(C)C)c2n1
InChIInChI=1S/C17H19N5O3S/c1-11(2)19-17(23)13-10-18-22-9-8-15(20-16(13)22)21-26(24,25)14-7-5-4-6-12(14)3/h4-11H,1-3H3,(H,19,23)(H,20,21)
InChIKeyQAUIMJXERRPMMB-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.98
Rot. Bonds5

About 5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063170) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063170
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccn2ncc(C(=O)NC(C)C)c2n1
InChIInChI=1S/C17H19N5O3S/c1-11(2)19-17(23)13-10-18-22-9-8-15(20-16(13)22)21-26(24,25)14-7-5-4-6-12(14)3/h4-11H,1-3H3,(H,19,23)(H,20,21)
InChIKeyQAUIMJXERRPMMB-UHFFFAOYSA-N
XLogP1.98
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677737
5-[(2,6-dimethoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063283
5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063445
5-[methyl(pyridin-2-yl)amino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677801
5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063418
N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063059
5-amino-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153105
5-(2-aminoethylamino)-N-(2-methoxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142501557
4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119188230
3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119211732
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 94619748
5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677518

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063170) is 5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccccc1S(=O)(=O)Nc1ccn2ncc(C(=O)NC(C)C)c2n1.
What is the InChIKey of 5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QAUIMJXERRPMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11(2)19-17(23)13-10-18-22-9-8-15(20-16(13)22)21-26(24,25)14-7-5-4-6-12(14)3/h4-11H,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).