(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide

C14H17N3OS — CID 96539727

IUPAC(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)Nc1ccnn1-c1ccccc1C
InChIInChI=1S/C14H17N3OS/c1-10-6-4-5-7-12(10)17-13(8-9-15-17)16-14(18)11(2)19-3/h4-9,11H,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyWAASNQKTMNIRSR-LLVKDONJSA-N
MW275.38 g/mol
LogP2.87
Rot. Bonds4

About (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide

(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide (PubChem CID 96539727) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide
PubChem CID96539727
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)Nc1ccnn1-c1ccccc1C
InChIInChI=1S/C14H17N3OS/c1-10-6-4-5-7-12(10)17-13(8-9-15-17)16-14(18)11(2)19-3/h4-9,11H,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyWAASNQKTMNIRSR-LLVKDONJSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]propanamide
CID 56789802
(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95980051
1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea
CID 84598091
(2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide
CID 100725773
N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide
CID 124574173
2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
CID 75467532
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 119822942
2-(2,4-difluorophenyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 97051340
N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 84598089
N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 166222223
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 119822944
(2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide
CID 99637742

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide (CID 96539727) is (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide is CS[C@H](C)C(=O)Nc1ccnn1-c1ccccc1C.
What is the InChIKey of (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide?
The InChIKey is WAASNQKTMNIRSR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-6-4-5-7-12(10)17-13(8-9-15-17)16-14(18)11(2)19-3/h4-9,11H,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide?
(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide has a molecular weight of 275.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 96539727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).