N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide

C21H28N8O2S — CID 121390958

IUPACN-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN(C)S(C)(=O)=O)c3)cn3nccc23)cn1
InChIInChI=1S/C21H28N8O2S/c1-5-18(6-2)28-14-17(12-24-28)21-20-7-8-22-29(20)15-19(25-21)16-11-23-27(13-16)10-9-26(3)32(4,30)31/h7-8,11-15,18H,5-6,9-10H2,1-4H3
InChIKeyQXJOOPZPQAEKRC-UHFFFAOYSA-N
MW456.58 g/mol
LogP2.71
Rot. Bonds9

About N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide

N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide (PubChem CID 121390958) has the molecular formula C21H28N8O2S and a molecular weight of 456.58 g/mol. Its IUPAC name is N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide
PubChem CID121390958
Molecular FormulaC21H28N8O2S
Molecular Weight456.58 g/mol
Exact Mass456.21
IUPAC NameN-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN(C)S(C)(=O)=O)c3)cn3nccc23)cn1
InChIInChI=1S/C21H28N8O2S/c1-5-18(6-2)28-14-17(12-24-28)21-20-7-8-22-29(20)15-19(25-21)16-11-23-27(13-16)10-9-26(3)32(4,30)31/h7-8,11-15,18H,5-6,9-10H2,1-4H3
InChIKeyQXJOOPZPQAEKRC-UHFFFAOYSA-N
XLogP2.71
TPSA103.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide (CID 121390958) is N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide is CCC(CC)n1cc(-c2nc(-c3cnn(CCN(C)S(C)(=O)=O)c3)cn3nccc23)cn1.
What is the InChIKey of N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is QXJOOPZPQAEKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2S/c1-5-18(6-2)28-14-17(12-24-28)21-20-7-8-22-29(20)15-19(25-21)16-11-23-27(13-16)10-9-26(3)32(4,30)31/h7-8,11-15,18H,5-6,9-10H2,1-4H3.
What are the key properties of N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 456.58 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 121390958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).