N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H19N7O3S — CID 66554583

IUPACN-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(S(C)(=O)=O)nc3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C23H19N7O3S/c1-15-4-7-17(8-5-15)30-20(27-23(31)18-14-26-29-11-3-10-24-22(18)29)12-19(28-30)16-6-9-21(25-13-16)34(2,32)33/h3-14H,1-2H3,(H,27,31)
InChIKeyKLETVONMDUALFI-UHFFFAOYSA-N
MW473.52 g/mol
LogP2.94
Rot. Bonds5

About N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66554583) has the molecular formula C23H19N7O3S and a molecular weight of 473.52 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66554583
Molecular FormulaC23H19N7O3S
Molecular Weight473.52 g/mol
Exact Mass473.13
IUPAC NameN-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(S(C)(=O)=O)nc3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C23H19N7O3S/c1-15-4-7-17(8-5-15)30-20(27-23(31)18-14-26-29-11-3-10-24-22(18)29)12-19(28-30)16-6-9-21(25-13-16)34(2,32)33/h3-14H,1-2H3,(H,27,31)
InChIKeyKLETVONMDUALFI-UHFFFAOYSA-N
XLogP2.94
TPSA124.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)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-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66554583) is N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(-c3ccc(S(C)(=O)=O)nc3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KLETVONMDUALFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O3S/c1-15-4-7-17(8-5-15)30-20(27-23(31)18-14-26-29-11-3-10-24-22(18)29)12-19(28-30)16-6-9-21(25-13-16)34(2,32)33/h3-14H,1-2H3,(H,27,31).
What are the key properties of N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 473.52 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-3-(6-methylsulfonyl-3-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66554583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).