N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide

C9H15N3O3S — CID 66006522

IUPACN-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C9H15N3O3S/c1-6-9(5-10-12-6)16(14,15)11-4-7-2-8(13)3-7/h5,7-8,11,13H,2-4H2,1H3,(H,10,12)
InChIKeyQVYFMAWGXKRKOK-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.23
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 66006522) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID66006522
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C9H15N3O3S/c1-6-9(5-10-12-6)16(14,15)11-4-7-2-8(13)3-7/h5,7-8,11,13H,2-4H2,1H3,(H,10,12)
InChIKeyQVYFMAWGXKRKOK-UHFFFAOYSA-N
XLogP-0.23
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 114146770
5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912088
5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912089
5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
CID 79350868
N-[[2-(bromomethyl)cyclohexyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 114295432
N-cyclopropyl-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
CID 54929871
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54932976
N-[(2-bromocyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 113271773
N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide
CID 78954154
N-[(3-hydroxycyclobutyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693146
N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 66006522) is N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QVYFMAWGXKRKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-6-9(5-10-12-6)16(14,15)11-4-7-2-8(13)3-7/h5,7-8,11,13H,2-4H2,1H3,(H,10,12).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 66006522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).