N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H21F3N4O4S — CID 138557228

IUPACN-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1C(=O)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C21H21F3N4O4S/c1-12-15(19(29)27-33(31,32)14-10-6-3-7-11-14)20(30)28-18(25-12)16(13-8-4-2-5-9-13)17(26-28)21(22,23)24/h2,4-5,8-9,14,26H,3,6-7,10-11H2,1H3,(H,27,29)
InChIKeyMBEBAMYOSVEBJU-UHFFFAOYSA-N
MW482.48 g/mol
LogP3.41
Rot. Bonds4

About N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 138557228) has the molecular formula C21H21F3N4O4S and a molecular weight of 482.48 g/mol. Its IUPAC name is N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID138557228
Molecular FormulaC21H21F3N4O4S
Molecular Weight482.48 g/mol
Exact Mass482.12
IUPAC NameN-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1C(=O)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C21H21F3N4O4S/c1-12-15(19(29)27-33(31,32)14-10-6-3-7-11-14)20(30)28-18(25-12)16(13-8-4-2-5-9-13)17(26-28)21(22,23)24/h2,4-5,8-9,14,26H,3,6-7,10-11H2,1H3,(H,27,29)
InChIKeyMBEBAMYOSVEBJU-UHFFFAOYSA-N
XLogP3.41
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 138557228) is N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1C(=O)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MBEBAMYOSVEBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O4S/c1-12-15(19(29)27-33(31,32)14-10-6-3-7-11-14)20(30)28-18(25-12)16(13-8-4-2-5-9-13)17(26-28)21(22,23)24/h2,4-5,8-9,14,26H,3,6-7,10-11H2,1H3,(H,27,29).
What are the key properties of N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 482.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylsulfonyl-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 138557228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).