5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide

C11H18N6O2S — CID 61125521

IUPAC5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H18N6O2S/c1-6(2)17-8(4)10(7(3)15-17)16-20(18,19)9-5-13-14-11(9)12/h5-6,16H,1-4H3,(H3,12,13,14)
InChIKeyKVJCODGWUUDNQC-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.19
Rot. Bonds4

About 5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide

5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 61125521) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID61125521
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H18N6O2S/c1-6(2)17-8(4)10(7(3)15-17)16-20(18,19)9-5-13-14-11(9)12/h5-6,16H,1-4H3,(H3,12,13,14)
InChIKeyKVJCODGWUUDNQC-UHFFFAOYSA-N
XLogP1.19
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 63000145
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
4-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 55900859
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
CID 107596356
5-amino-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 60814185
5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 54930114
5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60810253
5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922613
5-amino-N-(thiadiazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 114911708
5-amino-N-(2,6-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 65468674
5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922704
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 83167706

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (CID 61125521) is 5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is KVJCODGWUUDNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-6(2)17-8(4)10(7(3)15-17)16-20(18,19)9-5-13-14-11(9)12/h5-6,16H,1-4H3,(H3,12,13,14).
What are the key properties of 5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61125521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).