3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid

C15H19N5O5S — CID 153145706

IUPAC3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid
SMILESCn1cc(C(=O)N2CCC(c3ccn(S(N)(=O)=O)c3C(=O)O)CC2)cn1
InChIInChI=1S/C15H19N5O5S/c1-18-9-11(8-17-18)14(21)19-5-2-10(3-6-19)12-4-7-20(26(16,24)25)13(12)15(22)23/h4,7-10H,2-3,5-6H2,1H3,(H,22,23)(H2,16,24,25)
InChIKeyVZMPUSAJZNOVRP-UHFFFAOYSA-N
MW381.41 g/mol
LogP-0.01
Rot. Bonds4

About 3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid

3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid (PubChem CID 153145706) has the molecular formula C15H19N5O5S and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid
PubChem CID153145706
Molecular FormulaC15H19N5O5S
Molecular Weight381.41 g/mol
Exact Mass381.11
IUPAC Name3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid
SMILESCn1cc(C(=O)N2CCC(c3ccn(S(N)(=O)=O)c3C(=O)O)CC2)cn1
InChIInChI=1S/C15H19N5O5S/c1-18-9-11(8-17-18)14(21)19-5-2-10(3-6-19)12-4-7-20(26(16,24)25)13(12)15(22)23/h4,7-10H,2-3,5-6H2,1H3,(H,22,23)(H2,16,24,25)
InChIKeyVZMPUSAJZNOVRP-UHFFFAOYSA-N
XLogP-0.01
TPSA140.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110132814
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 119260468
N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide
CID 155500318
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9226953
(1-methylpyrazol-4-yl)-[4-(4-methylsulfonylphenyl)piperazin-1-yl]methanone
CID 172901753
(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63755993
(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 95839704
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120816214

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid?
The IUPAC name of 3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid (CID 153145706) is 3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid.
What is the SMILES notation for 3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid?
The canonical SMILES for 3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid is Cn1cc(C(=O)N2CCC(c3ccn(S(N)(=O)=O)c3C(=O)O)CC2)cn1.
What is the InChIKey of 3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid?
The InChIKey is VZMPUSAJZNOVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5S/c1-18-9-11(8-17-18)14(21)19-5-2-10(3-6-19)12-4-7-20(26(16,24)25)13(12)15(22)23/h4,7-10H,2-3,5-6H2,1H3,(H,22,23)(H2,16,24,25).
What are the key properties of 3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid?
3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid has a molecular weight of 381.41 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid is sourced from PubChem (CID 153145706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).