N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C12H21N3O3S — CID 103835944

IUPACN-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1CCCC1CO
InChIInChI=1S/C12H21N3O3S/c1-8-12(9(2)15(3)13-8)19(17,18)14-11-6-4-5-10(11)7-16/h10-11,14,16H,4-7H2,1-3H3
InChIKeyMGHCXAZYXZHWBP-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.48
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 103835944) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID103835944
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1CCCC1CO
InChIInChI=1S/C12H21N3O3S/c1-8-12(9(2)15(3)13-8)19(17,18)14-11-6-4-5-10(11)7-16/h10-11,14,16H,4-7H2,1-3H3
InChIKeyMGHCXAZYXZHWBP-UHFFFAOYSA-N
XLogP0.48
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104953256
N-[2-(dimethylamino)cyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 126826994
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
CID 106898543
3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358704
N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide
CID 103836016
N-[2-(hydroxymethyl)cyclohexyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106364538
1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
CID 55030816
2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 103858666
1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 79684858
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43597155
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22204440

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 103835944) is N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC1CCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is MGHCXAZYXZHWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8-12(9(2)15(3)13-8)19(17,18)14-11-6-4-5-10(11)7-16/h10-11,14,16H,4-7H2,1-3H3.
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 103835944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).