N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide

C8H15N3O2S — CID 22771483

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
SMILESCc1c(CN(C)S(C)(=O)=O)cnn1C
InChIInChI=1S/C8H15N3O2S/c1-7-8(5-9-11(7)3)6-10(2)14(4,12)13/h5H,6H2,1-4H3
InChIKeyHZPHQQPTLXRIFW-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.12
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide (PubChem CID 22771483) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
PubChem CID22771483
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
SMILESCc1c(CN(C)S(C)(=O)=O)cnn1C
InChIInChI=1S/C8H15N3O2S/c1-7-8(5-9-11(7)3)6-10(2)14(4,12)13/h5H,6H2,1-4H3
InChIKeyHZPHQQPTLXRIFW-UHFFFAOYSA-N
XLogP0.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide (CID 22771483) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide is Cc1c(CN(C)S(C)(=O)=O)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide?
The InChIKey is HZPHQQPTLXRIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-7-8(5-9-11(7)3)6-10(2)14(4,12)13/h5H,6H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 22771483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).