4-(dipropylsulfamoylamino)-1H-pyrazole

C9H18N4O2S — CID 43540549

IUPAC4-(dipropylsulfamoylamino)-1H-pyrazole
SMILESCCCN(CCC)S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H18N4O2S/c1-3-5-13(6-4-2)16(14,15)12-9-7-10-11-8-9/h7-8,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyNAUFOMYFOXFQGC-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.19
Rot. Bonds7

About 4-(dipropylsulfamoylamino)-1H-pyrazole

4-(dipropylsulfamoylamino)-1H-pyrazole (PubChem CID 43540549) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-(dipropylsulfamoylamino)-1H-pyrazole.

Molecular Properties

Compound Name4-(dipropylsulfamoylamino)-1H-pyrazole
PubChem CID43540549
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name4-(dipropylsulfamoylamino)-1H-pyrazole
SMILESCCCN(CCC)S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H18N4O2S/c1-3-5-13(6-4-2)16(14,15)12-9-7-10-11-8-9/h7-8,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyNAUFOMYFOXFQGC-UHFFFAOYSA-N
XLogP1.19
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoylamino)-1H-pyrazole?
The IUPAC name of 4-(dipropylsulfamoylamino)-1H-pyrazole (CID 43540549) is 4-(dipropylsulfamoylamino)-1H-pyrazole.
What is the SMILES notation for 4-(dipropylsulfamoylamino)-1H-pyrazole?
The canonical SMILES for 4-(dipropylsulfamoylamino)-1H-pyrazole is CCCN(CCC)S(=O)(=O)Nc1cn[nH]c1.
What is the InChIKey of 4-(dipropylsulfamoylamino)-1H-pyrazole?
The InChIKey is NAUFOMYFOXFQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-3-5-13(6-4-2)16(14,15)12-9-7-10-11-8-9/h7-8,12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 4-(dipropylsulfamoylamino)-1H-pyrazole?
4-(dipropylsulfamoylamino)-1H-pyrazole has a molecular weight of 246.34 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoylamino)-1H-pyrazole is sourced from PubChem (CID 43540549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).