3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide

C12H23N5O3S — CID 105359246

IUPAC3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide
SMILESCc1c(S(=O)(=O)NCCC(=O)NCC(C)C)c(N)nn1C
InChIInChI=1S/C12H23N5O3S/c1-8(2)7-14-10(18)5-6-15-21(19,20)11-9(3)17(4)16-12(11)13/h8,15H,5-7H2,1-4H3,(H2,13,16)(H,14,18)
InChIKeyULSBVVFCPFBUNQ-UHFFFAOYSA-N
MW317.42 g/mol
LogP-0.25
Rot. Bonds7

About 3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide

3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide (PubChem CID 105359246) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide
PubChem CID105359246
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC Name3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide
SMILESCc1c(S(=O)(=O)NCCC(=O)NCC(C)C)c(N)nn1C
InChIInChI=1S/C12H23N5O3S/c1-8(2)7-14-10(18)5-6-15-21(19,20)11-9(3)17(4)16-12(11)13/h8,15H,5-7H2,1-4H3,(H2,13,16)(H,14,18)
InChIKeyULSBVVFCPFBUNQ-UHFFFAOYSA-N
XLogP-0.25
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide
CID 106233760
3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide
CID 105359344
3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042
3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide
CID 105359297
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359319
1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
CID 126821597
N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62666487

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide (CID 105359246) is 3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide is Cc1c(S(=O)(=O)NCCC(=O)NCC(C)C)c(N)nn1C.
What is the InChIKey of 3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is ULSBVVFCPFBUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-8(2)7-14-10(18)5-6-15-21(19,20)11-9(3)17(4)16-12(11)13/h8,15H,5-7H2,1-4H3,(H2,13,16)(H,14,18).
What are the key properties of 3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide?
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 317.42 g/mol, XLogP of -0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 105359246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).