N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide

C21H25N5O3S — CID 118725462

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1-c1cccnc1
InChIInChI=1S/C21H25N5O3S/c1-5-7-20-18(14-23-26(20)16-8-6-11-22-13-16)21(27)24-19-12-17(10-9-15(19)2)30(28,29)25(3)4/h6,8-14H,5,7H2,1-4H3,(H,24,27)
InChIKeyLHASLFVOQBHQCR-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.03
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 118725462) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID118725462
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1-c1cccnc1
InChIInChI=1S/C21H25N5O3S/c1-5-7-20-18(14-23-26(20)16-8-6-11-22-13-16)21(27)24-19-12-17(10-9-15(19)2)30(28,29)25(3)4/h6,8-14H,5,7H2,1-4H3,(H,24,27)
InChIKeyLHASLFVOQBHQCR-UHFFFAOYSA-N
XLogP3.03
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide (CID 118725462) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1-c1cccnc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is LHASLFVOQBHQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-5-7-20-18(14-23-26(20)16-8-6-11-22-13-16)21(27)24-19-12-17(10-9-15(19)2)30(28,29)25(3)4/h6,8-14H,5,7H2,1-4H3,(H,24,27).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 118725462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).