3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide

C25H25N5O3S — CID 169043428

IUPAC3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide
SMILESCNS(=O)(=O)CCC(=O)Nc1ccc(-c2ccccc2)cc1-c1ccn(Cc2cccnc2)n1
InChIInChI=1S/C25H25N5O3S/c1-26-34(32,33)15-12-25(31)28-23-10-9-21(20-7-3-2-4-8-20)16-22(23)24-11-14-30(29-24)18-19-6-5-13-27-17-19/h2-11,13-14,16-17,26H,12,15,18H2,1H3,(H,28,31)
InChIKeyVLDZWWCGCRHUJC-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.54
Rot. Bonds9

About 3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide

3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide (PubChem CID 169043428) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide
PubChem CID169043428
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide
SMILESCNS(=O)(=O)CCC(=O)Nc1ccc(-c2ccccc2)cc1-c1ccn(Cc2cccnc2)n1
InChIInChI=1S/C25H25N5O3S/c1-26-34(32,33)15-12-25(31)28-23-10-9-21(20-7-3-2-4-8-20)16-22(23)24-11-14-30(29-24)18-19-6-5-13-27-17-19/h2-11,13-14,16-17,26H,12,15,18H2,1H3,(H,28,31)
InChIKeyVLDZWWCGCRHUJC-UHFFFAOYSA-N
XLogP3.54
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-methylpyrazol-3-yl)-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]ethanesulfonic acid
CID 169043322
2-[[[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]methylamino]methyl]prop-2-enal
CID 170003197
2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid
CID 168965601
3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
4-benzyl-N-[2-(methylaminosulfanyl)ethyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]aniline
CID 168965296
N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide
CID 171472422
1-[2-phenyl-4-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]prop-2-en-1-one
CID 169130130
3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide
CID 51101885
1-[2-benzyl-4-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]prop-2-en-1-one
CID 169130165
tert-butyl 4-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 169130287
1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 60615939
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 51102289

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide?
The IUPAC name of 3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide (CID 169043428) is 3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide.
What is the SMILES notation for 3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide?
The canonical SMILES for 3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide is CNS(=O)(=O)CCC(=O)Nc1ccc(-c2ccccc2)cc1-c1ccn(Cc2cccnc2)n1.
What is the InChIKey of 3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide?
The InChIKey is VLDZWWCGCRHUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-26-34(32,33)15-12-25(31)28-23-10-9-21(20-7-3-2-4-8-20)16-22(23)24-11-14-30(29-24)18-19-6-5-13-27-17-19/h2-11,13-14,16-17,26H,12,15,18H2,1H3,(H,28,31).
What are the key properties of 3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide?
3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide has a molecular weight of 475.57 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoyl)-N-[4-phenyl-2-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 169043428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).