N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C12H19N5O2S — CID 29089957

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCCn1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C12H19N5O2S/c1-5-17-7-6-11(15-17)8-16(4)20(18,19)12-9(2)13-14-10(12)3/h6-7H,5,8H2,1-4H3,(H,13,14)
InChIKeyFXOUDOQVCBHPHR-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.06
Rot. Bonds5

About N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 29089957) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
PubChem CID29089957
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCCn1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C12H19N5O2S/c1-5-17-7-6-11(15-17)8-16(4)20(18,19)12-9(2)13-14-10(12)3/h6-7H,5,8H2,1-4H3,(H,13,14)
InChIKeyFXOUDOQVCBHPHR-UHFFFAOYSA-N
XLogP1.06
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (CID 29089957) is N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is CCn1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is FXOUDOQVCBHPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-5-17-7-6-11(15-17)8-16(4)20(18,19)12-9(2)13-14-10(12)3/h6-7H,5,8H2,1-4H3,(H,13,14).
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 29089957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).