N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23N7O3S — CID 66554923

IUPACN-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H23N7O3S/c1-33(31,32)27-12-8-16(9-13-27)19-14-20(29(26-19)17-6-3-2-4-7-17)25-22(30)18-15-24-28-11-5-10-23-21(18)28/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H,25,30)
InChIKeyWLXCHJXWFBSEFZ-UHFFFAOYSA-N
MW465.54 g/mol
LogP2.31
Rot. Bonds5

About N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66554923) has the molecular formula C22H23N7O3S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66554923
Molecular FormulaC22H23N7O3S
Molecular Weight465.54 g/mol
Exact Mass465.16
IUPAC NameN-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H23N7O3S/c1-33(31,32)27-12-8-16(9-13-27)19-14-20(29(26-19)17-6-3-2-4-7-17)25-22(30)18-15-24-28-11-5-10-23-21(18)28/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H,25,30)
InChIKeyWLXCHJXWFBSEFZ-UHFFFAOYSA-N
XLogP2.31
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66554923) is N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccccc3)n2)CC1.
What is the InChIKey of N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WLXCHJXWFBSEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3S/c1-33(31,32)27-12-8-16(9-13-27)19-14-20(29(26-19)17-6-3-2-4-7-17)25-22(30)18-15-24-28-11-5-10-23-21(18)28/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H,25,30).
What are the key properties of N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66554923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).