N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide

C14H21N5O2S — CID 166603510

IUPACN-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCc1cc2c(N3CCCC(N(C)S(C)(=O)=O)C3)nccn2n1
InChIInChI=1S/C14H21N5O2S/c1-11-9-13-14(15-6-8-19(13)16-11)18-7-4-5-12(10-18)17(2)22(3,20)21/h6,8-9,12H,4-5,7,10H2,1-3H3
InChIKeyHXDCTPXNJXBXKM-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide

N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 166603510) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide
PubChem CID166603510
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCc1cc2c(N3CCCC(N(C)S(C)(=O)=O)C3)nccn2n1
InChIInChI=1S/C14H21N5O2S/c1-11-9-13-14(15-6-8-19(13)16-11)18-7-4-5-12(10-18)17(2)22(3,20)21/h6,8-9,12H,4-5,7,10H2,1-3H3
InChIKeyHXDCTPXNJXBXKM-UHFFFAOYSA-N
XLogP0.90
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide (CID 166603510) is N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide is Cc1cc2c(N3CCCC(N(C)S(C)(=O)=O)C3)nccn2n1.
What is the InChIKey of N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is HXDCTPXNJXBXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-11-9-13-14(15-6-8-19(13)16-11)18-7-4-5-12(10-18)17(2)22(3,20)21/h6,8-9,12H,4-5,7,10H2,1-3H3.
What are the key properties of N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide?
N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 166603510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).