N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide

C13H18N4O2S — CID 122274631

IUPACN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1ccc(-c2cnn(C)c2)nc1
InChIInChI=1S/C13H18N4O2S/c1-10(2)20(18,19)16-7-11-4-5-13(14-6-11)12-8-15-17(3)9-12/h4-6,8-10,16H,7H2,1-3H3
InChIKeyPGPBNORNWFSBBV-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.31
Rot. Bonds5

About N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide

N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide (PubChem CID 122274631) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
PubChem CID122274631
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1ccc(-c2cnn(C)c2)nc1
InChIInChI=1S/C13H18N4O2S/c1-10(2)20(18,19)16-7-11-4-5-13(14-6-11)12-8-15-17(3)9-12/h4-6,8-10,16H,7H2,1-3H3
InChIKeyPGPBNORNWFSBBV-UHFFFAOYSA-N
XLogP1.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide
CID 122274633
4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122274694
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122274541
2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
CID 122274470
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122274715
3-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122274699
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
CID 121022509
2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274308
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 122274332
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 119105294

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide (CID 122274631) is N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1ccc(-c2cnn(C)c2)nc1.
What is the InChIKey of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide?
The InChIKey is PGPBNORNWFSBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10(2)20(18,19)16-7-11-4-5-13(14-6-11)12-8-15-17(3)9-12/h4-6,8-10,16H,7H2,1-3H3.
What are the key properties of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide?
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 122274631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).