4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide

C13H24N4O2S — CID 106028316

IUPAC4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)CC(C)NS(=O)(=O)c1[nH]ncc1CNC1CC1
InChIInChI=1S/C13H24N4O2S/c1-9(2)6-10(3)17-20(18,19)13-11(8-15-16-13)7-14-12-4-5-12/h8-10,12,14,17H,4-7H2,1-3H3,(H,15,16)
InChIKeyIXWKJZRCURELQA-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.37
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide

4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 106028316) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID106028316
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)CC(C)NS(=O)(=O)c1[nH]ncc1CNC1CC1
InChIInChI=1S/C13H24N4O2S/c1-9(2)6-10(3)17-20(18,19)13-11(8-15-16-13)7-14-12-4-5-12/h8-10,12,14,17H,4-7H2,1-3H3,(H,15,16)
InChIKeyIXWKJZRCURELQA-UHFFFAOYSA-N
XLogP1.37
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide
CID 106059009
N-(4-methylpentan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106028644
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)-1H-pyrazole-5-sulfonamide
CID 106016868
4-[(cyclopropylamino)methyl]-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058108
4-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064191
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106070970
4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106065426
4-[(cyclopropylamino)methyl]-N-(1,4-dithian-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106078345
4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106064942
4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106016185
4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106383916
5-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028540

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide (CID 106028316) is 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide is CC(C)CC(C)NS(=O)(=O)c1[nH]ncc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is IXWKJZRCURELQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-9(2)6-10(3)17-20(18,19)13-11(8-15-16-13)7-14-12-4-5-12/h8-10,12,14,17H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide?
4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106028316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).