5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide

C20H21N3OS — CID 38769023

IUPAC5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCSc2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C20H21N3OS/c1-16-19(15-22-23(16)17-9-4-2-5-10-17)20(24)21-13-8-14-25-18-11-6-3-7-12-18/h2-7,9-12,15H,8,13-14H2,1H3,(H,21,24)
InChIKeyLOCNWASWPKKEEU-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.09
Rot. Bonds7

About 5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide

5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide (PubChem CID 38769023) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
PubChem CID38769023
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCSc2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C20H21N3OS/c1-16-19(15-22-23(16)17-9-4-2-5-10-17)20(24)21-13-8-14-25-18-11-6-3-7-12-18/h2-7,9-12,15H,8,13-14H2,1H3,(H,21,24)
InChIKeyLOCNWASWPKKEEU-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746
N-(3-butoxypropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791814
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
5-chloro-3-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 4780426
1-(4-chlorophenyl)-5-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]pyrazole-4-carboxamide
CID 30786383
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
CID 32651721
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111335159
5-methyl-N-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 91629216
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 120652379
1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 60572248

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide (CID 38769023) is 5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCCCSc2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide?
The InChIKey is LOCNWASWPKKEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-16-19(15-22-23(16)17-9-4-2-5-10-17)20(24)21-13-8-14-25-18-11-6-3-7-12-18/h2-7,9-12,15H,8,13-14H2,1H3,(H,21,24).
What are the key properties of 5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide?
5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 38769023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).