N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H27N7O3S — CID 66555438

IUPACN-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CN(S(=O)(=O)C4CCCC4)C3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C25H27N7O3S/c1-17-7-9-19(10-8-17)32-23(28-25(33)21-14-27-31-12-4-11-26-24(21)31)13-22(29-32)18-15-30(16-18)36(34,35)20-5-2-3-6-20/h4,7-14,18,20H,2-3,5-6,15-16H2,1H3,(H,28,33)
InChIKeyDRFSYAZOKURDMZ-UHFFFAOYSA-N
MW505.60 g/mol
LogP3.15
Rot. Bonds6

About N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66555438) has the molecular formula C25H27N7O3S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66555438
Molecular FormulaC25H27N7O3S
Molecular Weight505.60 g/mol
Exact Mass505.19
IUPAC NameN-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CN(S(=O)(=O)C4CCCC4)C3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C25H27N7O3S/c1-17-7-9-19(10-8-17)32-23(28-25(33)21-14-27-31-12-4-11-26-24(21)31)13-22(29-32)18-15-30(16-18)36(34,35)20-5-2-3-6-20/h4,7-14,18,20H,2-3,5-6,15-16H2,1H3,(H,28,33)
InChIKeyDRFSYAZOKURDMZ-UHFFFAOYSA-N
XLogP3.15
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66555438) is N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CN(S(=O)(=O)C4CCCC4)C3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DRFSYAZOKURDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3S/c1-17-7-9-19(10-8-17)32-23(28-25(33)21-14-27-31-12-4-11-26-24(21)31)13-22(29-32)18-15-30(16-18)36(34,35)20-5-2-3-6-20/h4,7-14,18,20H,2-3,5-6,15-16H2,1H3,(H,28,33).
What are the key properties of N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopentylsulfonylazetidin-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66555438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).