N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide

C12H19N5O2S — CID 29090602

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCCn1ncc(CN(C)S(=O)(=O)c2cnn(C)c2)c1C
InChIInChI=1S/C12H19N5O2S/c1-5-17-10(2)11(6-14-17)8-16(4)20(18,19)12-7-13-15(3)9-12/h6-7,9H,5,8H2,1-4H3
InChIKeyAIDYQZYRMPNTQK-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.77
Rot. Bonds5

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 29090602) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID29090602
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCCn1ncc(CN(C)S(=O)(=O)c2cnn(C)c2)c1C
InChIInChI=1S/C12H19N5O2S/c1-5-17-10(2)11(6-14-17)8-16(4)20(18,19)12-7-13-15(3)9-12/h6-7,9H,5,8H2,1-4H3
InChIKeyAIDYQZYRMPNTQK-UHFFFAOYSA-N
XLogP0.77
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide (CID 29090602) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide is CCn1ncc(CN(C)S(=O)(=O)c2cnn(C)c2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is AIDYQZYRMPNTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-5-17-10(2)11(6-14-17)8-16(4)20(18,19)12-7-13-15(3)9-12/h6-7,9H,5,8H2,1-4H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 29090602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).