4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide

C6H7N5O2S — CID 153371805

IUPAC4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide
SMILESNS(=O)(=O)c1[nH]ncc1-c1ccn[nH]1
InChIInChI=1S/C6H7N5O2S/c7-14(12,13)6-4(3-9-11-6)5-1-2-8-10-5/h1-3H,(H,8,10)(H,9,11)(H2,7,12,13)
InChIKeyPKJFLUJKPCJZNN-UHFFFAOYSA-N
MW213.22 g/mol
LogP-0.55
Rot. Bonds2

About 4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide

4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 153371805) has the molecular formula C6H7N5O2S and a molecular weight of 213.22 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide
PubChem CID153371805
Molecular FormulaC6H7N5O2S
Molecular Weight213.22 g/mol
Exact Mass213.03
IUPAC Name4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide
SMILESNS(=O)(=O)c1[nH]ncc1-c1ccn[nH]1
InChIInChI=1S/C6H7N5O2S/c7-14(12,13)6-4(3-9-11-6)5-1-2-8-10-5/h1-3H,(H,8,10)(H,9,11)(H2,7,12,13)
InChIKeyPKJFLUJKPCJZNN-UHFFFAOYSA-N
XLogP-0.55
TPSA117.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide (CID 153371805) is 4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide is NS(=O)(=O)c1[nH]ncc1-c1ccn[nH]1.
What is the InChIKey of 4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is PKJFLUJKPCJZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2S/c7-14(12,13)6-4(3-9-11-6)5-1-2-8-10-5/h1-3H,(H,8,10)(H,9,11)(H2,7,12,13).
What are the key properties of 4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide?
4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 213.22 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 153371805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).