1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide

C14H25N3O3S — CID 79359859

IUPAC1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CCO)c(C)c1S(=O)(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C14H25N3O3S/c1-9-11(10(2)17(15-9)7-8-18)21(19,20)16-12-13(3,4)14(12,5)6/h12,16,18H,7-8H2,1-6H3
InChIKeyVDRQOJRPZQWTHW-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.21
Rot. Bonds5

About 1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide

1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide (PubChem CID 79359859) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide
PubChem CID79359859
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CCO)c(C)c1S(=O)(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C14H25N3O3S/c1-9-11(10(2)17(15-9)7-8-18)21(19,20)16-12-13(3,4)14(12,5)6/h12,16,18H,7-8H2,1-6H3
InChIKeyVDRQOJRPZQWTHW-UHFFFAOYSA-N
XLogP1.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.21
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
N-(2-cyclopropylpropan-2-yl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106001169
N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 115409002
1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106002480
1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
CID 114551679
1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410381
N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106000415
N',N',3,5-tetramethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonohydrazide
CID 114141849
N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide
CID 79471794
1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide
CID 106074873
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide
CID 106032215
2-[3,5-dimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]ethanol
CID 106317063

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide (CID 79359859) is 1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide is Cc1nn(CCO)c(C)c1S(=O)(=O)NC1C(C)(C)C1(C)C.
What is the InChIKey of 1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide?
The InChIKey is VDRQOJRPZQWTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-9-11(10(2)17(15-9)7-8-18)21(19,20)16-12-13(3,4)14(12,5)6/h12,16,18H,7-8H2,1-6H3.
What are the key properties of 1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide?
1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 79359859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).