1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide

C11H21N3O3S — CID 19684332

IUPAC1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCCOC(C)C)cnn1C
InChIInChI=1S/C11H21N3O3S/c1-9(2)17-7-5-6-13-18(15,16)11-8-12-14(4)10(11)3/h8-9,13H,5-7H2,1-4H3
InChIKeySIEDANAEFWVRHH-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.82
Rot. Bonds7

About 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide

1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide (PubChem CID 19684332) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
PubChem CID19684332
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCCOC(C)C)cnn1C
InChIInChI=1S/C11H21N3O3S/c1-9(2)17-7-5-6-13-18(15,16)11-8-12-14(4)10(11)3/h8-9,13H,5-7H2,1-4H3
InChIKeySIEDANAEFWVRHH-UHFFFAOYSA-N
XLogP0.82
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681770
1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684327
N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 95756264
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
5-bromo-2-methyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 33143864
N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 51853446
4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 99839747
2-amino-5-bromo-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
CID 22515915
3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684333
N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681666
N-[3-(4-chloro-3-nitropyrazol-1-yl)propyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19614564

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide (CID 19684332) is 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCCCOC(C)C)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
The InChIKey is SIEDANAEFWVRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-9(2)17-7-5-6-13-18(15,16)11-8-12-14(4)10(11)3/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide?
1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19684332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).