2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

C18H25N3O2S — CID 111436282

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H25N3O2S/c1-13-16(10-17(22)19-11-18(3,23)12-24-4)14(2)21(20-13)15-8-6-5-7-9-15/h5-9,23H,10-12H2,1-4H3,(H,19,22)
InChIKeyMSYAHHLPJANFKI-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.26
Rot. Bonds7

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 111436282) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID111436282
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H25N3O2S/c1-13-16(10-17(22)19-11-18(3,23)12-24-4)14(2)21(20-13)15-8-6-5-7-9-15/h5-9,23H,10-12H2,1-4H3,(H,19,22)
InChIKeyMSYAHHLPJANFKI-UHFFFAOYSA-N
XLogP2.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436050
CID 89224809
CID 89224809
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55934209
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249342
N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 99695697
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9140605
1-tert-butyl-3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]thiourea
CID 9425924
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (CID 111436282) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is CSCC(C)(O)CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is MSYAHHLPJANFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13-16(10-17(22)19-11-18(3,23)12-24-4)14(2)21(20-13)15-8-6-5-7-9-15/h5-9,23H,10-12H2,1-4H3,(H,19,22).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 347.48 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 111436282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).