N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide

C19H22N6O3S — CID 71193150

IUPACN-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCCCNS(C)(=O)=O)cc2-c2ccccn2)cn1
InChIInChI=1S/C19H22N6O3S/c1-14-7-8-15(13-22-14)25-18(16-6-3-4-9-20-16)12-17(24-25)19(26)21-10-5-11-23-29(2,27)28/h3-4,6-9,12-13,23H,5,10-11H2,1-2H3,(H,21,26)
InChIKeyGISQZHLJMKOFSQ-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.31
Rot. Bonds8

About N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide

N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 71193150) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID71193150
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC NameN-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCCCNS(C)(=O)=O)cc2-c2ccccn2)cn1
InChIInChI=1S/C19H22N6O3S/c1-14-7-8-15(13-22-14)25-18(16-6-3-4-9-20-16)12-17(24-25)19(26)21-10-5-11-23-29(2,27)28/h3-4,6-9,12-13,23H,5,10-11H2,1-2H3,(H,21,26)
InChIKeyGISQZHLJMKOFSQ-UHFFFAOYSA-N
XLogP1.31
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid
CID 23143602
N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 71205995
5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid
CID 59003597
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23090500
2-methyl-5-(5-pyridin-2-ylpyrazol-1-yl)pyridine
CID 141118091
5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 23143800
5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 23143450
5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 69477331
methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate
CID 118306589
N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide
CID 118313306
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067767
[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 23090523

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide (CID 71193150) is N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NCCCNS(C)(=O)=O)cc2-c2ccccn2)cn1.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is GISQZHLJMKOFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-14-7-8-15(13-22-14)25-18(16-6-3-4-9-20-16)12-17(24-25)19(26)21-10-5-11-23-29(2,27)28/h3-4,6-9,12-13,23H,5,10-11H2,1-2H3,(H,21,26).
What are the key properties of N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide?
N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 71193150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).