N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide

C14H16N4O2S — CID 130430933

IUPACN-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2n[nH]c3c2CNC3)c1)C1CC1
InChIInChI=1S/C14H16N4O2S/c19-21(20,11-4-5-11)18-10-3-1-2-9(6-10)14-12-7-15-8-13(12)16-17-14/h1-3,6,11,15,18H,4-5,7-8H2,(H,16,17)
InChIKeyASSROGSAXKZWEB-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.58
Rot. Bonds4

About N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide

N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide (PubChem CID 130430933) has the molecular formula C14H16N4O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide
PubChem CID130430933
Molecular FormulaC14H16N4O2S
Molecular Weight304.37 g/mol
Exact Mass304.10
IUPAC NameN-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2n[nH]c3c2CNC3)c1)C1CC1
InChIInChI=1S/C14H16N4O2S/c19-21(20,11-4-5-11)18-10-3-1-2-9(6-10)14-12-7-15-8-13(12)16-17-14/h1-3,6,11,15,18H,4-5,7-8H2,(H,16,17)
InChIKeyASSROGSAXKZWEB-UHFFFAOYSA-N
XLogP1.58
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide (CID 130430933) is N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide is O=S(=O)(Nc1cccc(-c2n[nH]c3c2CNC3)c1)C1CC1.
What is the InChIKey of N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide?
The InChIKey is ASSROGSAXKZWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-21(20,11-4-5-11)18-10-3-1-2-9(6-10)14-12-7-15-8-13(12)16-17-14/h1-3,6,11,15,18H,4-5,7-8H2,(H,16,17).
What are the key properties of N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide?
N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 130430933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).