4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole

C5H11N5O2S — CID 114958732

IUPAC4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole
SMILESCc1nn(C)c(NS(N)(=O)=O)c1N
InChIInChI=1S/C5H11N5O2S/c1-3-4(6)5(10(2)8-3)9-13(7,11)12/h9H,6H2,1-2H3,(H2,7,11,12)
InChIKeyQQJHKKHCTZDORY-UHFFFAOYSA-N
MW205.24 g/mol
LogP-1.07
Rot. Bonds2

About 4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole

4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole (PubChem CID 114958732) has the molecular formula C5H11N5O2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole
PubChem CID114958732
Molecular FormulaC5H11N5O2S
Molecular Weight205.24 g/mol
Exact Mass205.06
IUPAC Name4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole
SMILESCc1nn(C)c(NS(N)(=O)=O)c1N
InChIInChI=1S/C5H11N5O2S/c1-3-4(6)5(10(2)8-3)9-13(7,11)12/h9H,6H2,1-2H3,(H2,7,11,12)
InChIKeyQQJHKKHCTZDORY-UHFFFAOYSA-N
XLogP-1.07
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole?
The IUPAC name of 4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole (CID 114958732) is 4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole.
What is the SMILES notation for 4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole?
The canonical SMILES for 4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole is Cc1nn(C)c(NS(N)(=O)=O)c1N.
What is the InChIKey of 4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole?
The InChIKey is QQJHKKHCTZDORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O2S/c1-3-4(6)5(10(2)8-3)9-13(7,11)12/h9H,6H2,1-2H3,(H2,7,11,12).
What are the key properties of 4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole?
4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole has a molecular weight of 205.24 g/mol, XLogP of -1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole is sourced from PubChem (CID 114958732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).