5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide

C18H18N4O2S — CID 139004120

IUPAC5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2CS(C)=O)cnn1-c1ccccn1
InChIInChI=1S/C18H18N4O2S/c1-13-15(11-20-22(13)17-9-5-6-10-19-17)18(23)21-16-8-4-3-7-14(16)12-25(2)24/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyQJZJKJUCWXPUGO-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.71
Rot. Bonds5

About 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide

5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 139004120) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID139004120
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2CS(C)=O)cnn1-c1ccccn1
InChIInChI=1S/C18H18N4O2S/c1-13-15(11-20-22(13)17-9-5-6-10-19-17)18(23)21-16-8-4-3-7-14(16)12-25(2)24/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyQJZJKJUCWXPUGO-UHFFFAOYSA-N
XLogP2.71
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 108793336
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60532053
5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39093834
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(2-ethyl-6-methylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825168
N-(2,5-difluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825171
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
N-(2-iodo-5-methoxyphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 154806253
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 139004120) is 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2CS(C)=O)cnn1-c1ccccn1.
What is the InChIKey of 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is QJZJKJUCWXPUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-15(11-20-22(13)17-9-5-6-10-19-17)18(23)21-16-8-4-3-7-14(16)12-25(2)24/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 139004120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).