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

C25H27N7O3S — CID 66554753

IUPACN-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cccc(-n2nc(C3CCN(S(=O)(=O)C4CC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C25H27N7O3S/c1-17-4-2-5-19(14-17)32-23(28-25(33)21-16-27-31-11-3-10-26-24(21)31)15-22(29-32)18-8-12-30(13-9-18)36(34,35)20-6-7-20/h2-5,10-11,14-16,18,20H,6-9,12-13H2,1H3,(H,28,33)
InChIKeyVMCZPOVAIBGDED-UHFFFAOYSA-N
MW505.60 g/mol
LogP3.15
Rot. Bonds6

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

N-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66554753) has the molecular formula C25H27N7O3S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66554753
Molecular FormulaC25H27N7O3S
Molecular Weight505.60 g/mol
Exact Mass505.19
IUPAC NameN-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cccc(-n2nc(C3CCN(S(=O)(=O)C4CC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C25H27N7O3S/c1-17-4-2-5-19(14-17)32-23(28-25(33)21-16-27-31-11-3-10-26-24(21)31)15-22(29-32)18-8-12-30(13-9-18)36(34,35)20-6-7-20/h2-5,10-11,14-16,18,20H,6-9,12-13H2,1H3,(H,28,33)
InChIKeyVMCZPOVAIBGDED-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

Analyze N-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66554753) is N-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cccc(-n2nc(C3CCN(S(=O)(=O)C4CC4)CC3)cc2NC(=O)c2cnn3cccnc23)c1.
What is the InChIKey of N-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VMCZPOVAIBGDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3S/c1-17-4-2-5-19(14-17)32-23(28-25(33)21-16-27-31-11-3-10-26-24(21)31)15-22(29-32)18-8-12-30(13-9-18)36(34,35)20-6-7-20/h2-5,10-11,14-16,18,20H,6-9,12-13H2,1H3,(H,28,33).
What are the key properties of N-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-1-(3-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-cyclopropylsulfonylpiperidin-4-yl)-1-(3-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66554753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).