4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide

C11H17N5O3S — CID 106001618

IUPAC4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
SMILESCc1cnn(CCNS(=O)(=O)c2n[nH]c(C)c2CO)c1
InChIInChI=1S/C11H17N5O3S/c1-8-5-12-16(6-8)4-3-13-20(18,19)11-10(7-17)9(2)14-15-11/h5-6,13,17H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyXCHIFUPBSAGNKJ-UHFFFAOYSA-N
MW299.36 g/mol
LogP-0.31
Rot. Bonds6

About 4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide

4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide (PubChem CID 106001618) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
PubChem CID106001618
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
SMILESCc1cnn(CCNS(=O)(=O)c2n[nH]c(C)c2CO)c1
InChIInChI=1S/C11H17N5O3S/c1-8-5-12-16(6-8)4-3-13-20(18,19)11-10(7-17)9(2)14-15-11/h5-6,13,17H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyXCHIFUPBSAGNKJ-UHFFFAOYSA-N
XLogP-0.31
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106092020
N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 115409012
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106044354
5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106077187
2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207248
2-methoxy-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 99843579
N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114135418
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 22207231
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 115319861
N-(2-cyclopropylpropan-2-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106001191
6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol
CID 103737929

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide (CID 106001618) is 4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide is Cc1cnn(CCNS(=O)(=O)c2n[nH]c(C)c2CO)c1.
What is the InChIKey of 4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide?
The InChIKey is XCHIFUPBSAGNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-8-5-12-16(6-8)4-3-13-20(18,19)11-10(7-17)9(2)14-15-11/h5-6,13,17H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide?
4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106001618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).