2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide

C9H16N4O2S — CID 104710228

IUPAC2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC1CCCN1
InChIInChI=1S/C9H16N4O2S/c1-13-9(4-6-11-13)16(14,15)12-7-8-3-2-5-10-8/h4,6,8,10,12H,2-3,5,7H2,1H3
InChIKeyPGHYMWPDJUZDPL-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.55
Rot. Bonds4

About 2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide

2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide (PubChem CID 104710228) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide
PubChem CID104710228
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC1CCCN1
InChIInChI=1S/C9H16N4O2S/c1-13-9(4-6-11-13)16(14,15)12-7-8-3-2-5-10-8/h4,6,8,10,12H,2-3,5,7H2,1H3
InChIKeyPGHYMWPDJUZDPL-UHFFFAOYSA-N
XLogP-0.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazol-3-amine
CID 103542592
N-[(3-aminocyclopentyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 114146761
1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 62541638
2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide
CID 128977860
N-cyclopentyl-2-methylpyrazole-3-sulfonamide
CID 104709770
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
1-methyl-5-(1-pyrrolidin-2-ylpropan-2-yl)pyrazole
CID 112715167
4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974217
N-(pyrrolidin-2-ylmethyl)pyridine-2-sulfonamide;hydrochloride
CID 66570297
4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974216
2-methyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide
CID 104709475
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride
CID 120876392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide (CID 104710228) is 2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCC1CCCN1.
What is the InChIKey of 2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide?
The InChIKey is PGHYMWPDJUZDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-13-9(4-6-11-13)16(14,15)12-7-8-3-2-5-10-8/h4,6,8,10,12H,2-3,5,7H2,1H3.
What are the key properties of 2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide?
2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 104710228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).