1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide

C14H25N3O3S — CID 114551679

IUPAC1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
SMILESCc1nn(CCCO)c(C)c1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C14H25N3O3S/c1-10-5-6-13(9-10)16-21(19,20)14-11(2)15-17(12(14)3)7-4-8-18/h10,13,16,18H,4-9H2,1-3H3
InChIKeyQLBCLZOYDSYFBU-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.35
Rot. Bonds6

About 1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide

1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide (PubChem CID 114551679) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
PubChem CID114551679
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
SMILESCc1nn(CCCO)c(C)c1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C14H25N3O3S/c1-10-5-6-13(9-10)16-21(19,20)14-11(2)15-17(12(14)3)7-4-8-18/h10,13,16,18H,4-9H2,1-3H3
InChIKeyQLBCLZOYDSYFBU-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
CID 114551680
1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide
CID 79359859
N-(2-cyclopropylpropan-2-yl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106001169
1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide
CID 106076320
3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207
2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 80717183
1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 106410502
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide
CID 106081577
(3-methylcyclopentyl)sulfamic acid
CID 19748602
1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
CID 55030816
3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551624
1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106002480

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide (CID 114551679) is 1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide is Cc1nn(CCCO)c(C)c1S(=O)(=O)NC1CCC(C)C1.
What is the InChIKey of 1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide?
The InChIKey is QLBCLZOYDSYFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-10-5-6-13(9-10)16-21(19,20)14-11(2)15-17(12(14)3)7-4-8-18/h10,13,16,18H,4-9H2,1-3H3.
What are the key properties of 1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide?
1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 114551679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).