5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole

C11H23N5O2S — CID 79523701

IUPAC5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole
SMILESCCCN(CCC)S(=O)(=O)NCc1cnn(C)c1N
InChIInChI=1S/C11H23N5O2S/c1-4-6-16(7-5-2)19(17,18)14-9-10-8-13-15(3)11(10)12/h8,14H,4-7,9,12H2,1-3H3
InChIKeyAZBKMRGEYLZAEM-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.46
Rot. Bonds8

About 5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole

5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole (PubChem CID 79523701) has the molecular formula C11H23N5O2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole
PubChem CID79523701
Molecular FormulaC11H23N5O2S
Molecular Weight289.40 g/mol
Exact Mass289.16
IUPAC Name5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole
SMILESCCCN(CCC)S(=O)(=O)NCc1cnn(C)c1N
InChIInChI=1S/C11H23N5O2S/c1-4-6-16(7-5-2)19(17,18)14-9-10-8-13-15(3)11(10)12/h8,14H,4-7,9,12H2,1-3H3
InChIKeyAZBKMRGEYLZAEM-UHFFFAOYSA-N
XLogP0.46
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole?
The IUPAC name of 5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole (CID 79523701) is 5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole.
What is the SMILES notation for 5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole?
The canonical SMILES for 5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole is CCCN(CCC)S(=O)(=O)NCc1cnn(C)c1N.
What is the InChIKey of 5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole?
The InChIKey is AZBKMRGEYLZAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O2S/c1-4-6-16(7-5-2)19(17,18)14-9-10-8-13-15(3)11(10)12/h8,14H,4-7,9,12H2,1-3H3.
What are the key properties of 5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole?
5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole has a molecular weight of 289.40 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole is sourced from PubChem (CID 79523701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).