N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide

C15H19N3O2S — CID 111458525

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
SMILESCn1cc(C(C)(O)CNC(=O)CSc2ccccc2)cn1
InChIInChI=1S/C15H19N3O2S/c1-15(20,12-8-17-18(2)9-12)11-16-14(19)10-21-13-6-4-3-5-7-13/h3-9,20H,10-11H2,1-2H3,(H,16,19)
InChIKeyUFSIPCVGFYMDQP-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.54
Rot. Bonds6

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide (PubChem CID 111458525) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
PubChem CID111458525
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
SMILESCn1cc(C(C)(O)CNC(=O)CSc2ccccc2)cn1
InChIInChI=1S/C15H19N3O2S/c1-15(20,12-8-17-18(2)9-12)11-16-14(19)10-21-13-6-4-3-5-7-13/h3-9,20H,10-11H2,1-2H3,(H,16,19)
InChIKeyUFSIPCVGFYMDQP-UHFFFAOYSA-N
XLogP1.54
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-phenylbutyl)urea
CID 111459062
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
1-[cyclopropyl(phenyl)methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457983
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide
CID 111458418
3-(2-chlorophenoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111519834
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide
CID 111458533
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide
CID 111458426
3-(2-ethoxyphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458777
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide
CID 111825776

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide (CID 111458525) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide is Cn1cc(C(C)(O)CNC(=O)CSc2ccccc2)cn1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide?
The InChIKey is UFSIPCVGFYMDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(20,12-8-17-18(2)9-12)11-16-14(19)10-21-13-6-4-3-5-7-13/h3-9,20H,10-11H2,1-2H3,(H,16,19).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide has a molecular weight of 305.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 111458525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).