N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide

C9H15N3O3S — CID 104710131

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC1(CO)CC1
InChIInChI=1S/C9H15N3O3S/c1-12-8(2-5-10-12)16(14,15)11-6-9(7-13)3-4-9/h2,5,11,13H,3-4,6-7H2,1H3
InChIKeyDHOYESYVHODODM-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.53
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104710131) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
PubChem CID104710131
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC1(CO)CC1
InChIInChI=1S/C9H15N3O3S/c1-12-8(2-5-10-12)16(14,15)11-6-9(7-13)3-4-9/h2,5,11,13H,3-4,6-7H2,1H3
InChIKeyDHOYESYVHODODM-UHFFFAOYSA-N
XLogP-0.53
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 113444051
4-methyl-1-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 104709737
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 104710096
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
CID 113451663
2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide
CID 136531661
2-methyl-N-[3-(methylamino)propyl]pyrazole-3-sulfonamide
CID 104709474
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclopropyl]methanol
CID 106757997
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
CID 104710214
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115454064

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide (CID 104710131) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCC1(CO)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is DHOYESYVHODODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-12-8(2-5-10-12)16(14,15)11-6-9(7-13)3-4-9/h2,5,11,13H,3-4,6-7H2,1H3.
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104710131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).