4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

C14H13N5O4S — CID 51106780

IUPAC4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)c[nH]1
InChIInChI=1S/C14H13N5O4S/c20-14(21)12-7-11(8-16-12)24(22,23)18-13-3-6-19(17-13)9-10-1-4-15-5-2-10/h1-8,16H,9H2,(H,17,18)(H,20,21)
InChIKeyHRWMACZEPRVFBV-UHFFFAOYSA-N
MW347.36 g/mol
LogP1.15
Rot. Bonds6

About 4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 51106780) has the molecular formula C14H13N5O4S and a molecular weight of 347.36 g/mol. Its IUPAC name is 4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID51106780
Molecular FormulaC14H13N5O4S
Molecular Weight347.36 g/mol
Exact Mass347.07
IUPAC Name4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)c[nH]1
InChIInChI=1S/C14H13N5O4S/c20-14(21)12-7-11(8-16-12)24(22,23)18-13-3-6-19(17-13)9-10-1-4-15-5-2-10/h1-8,16H,9H2,(H,17,18)(H,20,21)
InChIKeyHRWMACZEPRVFBV-UHFFFAOYSA-N
XLogP1.15
TPSA129.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 51106780) is 4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)c[nH]1.
What is the InChIKey of 4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is HRWMACZEPRVFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4S/c20-14(21)12-7-11(8-16-12)24(22,23)18-13-3-6-19(17-13)9-10-1-4-15-5-2-10/h1-8,16H,9H2,(H,17,18)(H,20,21).
What are the key properties of 4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 347.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 51106780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).