3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide

C11H16N6O3S — CID 106410874

IUPAC3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CNC2CC2)c1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C11H16N6O3S/c1-7-11(9(16-15-7)4-12-8-2-3-8)21(18,19)14-5-10-13-6-20-17-10/h6,8,12,14H,2-5H2,1H3,(H,15,16)
InChIKeyLXZCSPOLMDLHSY-UHFFFAOYSA-N
MW312.36 g/mol
LogP-0.17
Rot. Bonds7

About 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide

3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106410874) has the molecular formula C11H16N6O3S and a molecular weight of 312.36 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106410874
Molecular FormulaC11H16N6O3S
Molecular Weight312.36 g/mol
Exact Mass312.10
IUPAC Name3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CNC2CC2)c1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C11H16N6O3S/c1-7-11(9(16-15-7)4-12-8-2-3-8)21(18,19)14-5-10-13-6-20-17-10/h6,8,12,14H,2-5H2,1H3,(H,15,16)
InChIKeyLXZCSPOLMDLHSY-UHFFFAOYSA-N
XLogP-0.17
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106411035
3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106410953
3-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 102701655
2-(cyclopropylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide
CID 106410989
3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106331735
5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410840
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 106081354
3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106084016
3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093623
1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 106411075
N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106027270
5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106065204

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 106410874) is 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CNC2CC2)c1S(=O)(=O)NCc1ncon1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LXZCSPOLMDLHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S/c1-7-11(9(16-15-7)4-12-8-2-3-8)21(18,19)14-5-10-13-6-20-17-10/h6,8,12,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 312.36 g/mol, XLogP of -0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106410874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).