3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide

C12H22N4O3S — CID 102859017

IUPAC3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(CCCO)C2CCC2)c(N)nn1C
InChIInChI=1S/C12H22N4O3S/c1-9-11(12(13)14-15(9)2)20(18,19)16(7-4-8-17)10-5-3-6-10/h10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyANCNMRPSPMSPJP-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.24
Rot. Bonds6

About 3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 102859017) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID102859017
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(CCCO)C2CCC2)c(N)nn1C
InChIInChI=1S/C12H22N4O3S/c1-9-11(12(13)14-15(9)2)20(18,19)16(7-4-8-17)10-5-3-6-10/h10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyANCNMRPSPMSPJP-UHFFFAOYSA-N
XLogP0.24
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
3-amino-N-(2-hydroxyethyl)-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358606
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide
CID 105641613
3-amino-N-(3,3-difluoro-2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105641823
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 106165579
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 107478051
N-cyclobutyl-1-(3-hydroxypropyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 65739086
5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 82459998
5-amino-N-butyl-1,3-dimethylpyrazole-4-sulfonamide
CID 82460005

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 102859017) is 3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(CCCO)C2CCC2)c(N)nn1C.
What is the InChIKey of 3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is ANCNMRPSPMSPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-9-11(12(13)14-15(9)2)20(18,19)16(7-4-8-17)10-5-3-6-10/h10,17H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 102859017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).