N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide

C17H17N5OS — CID 95919234

IUPACN-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide
SMILESCc1ccc(CNC(=O)CSc2nccnc2-n2cccn2)cc1
InChIInChI=1S/C17H17N5OS/c1-13-3-5-14(6-4-13)11-20-15(23)12-24-17-16(18-8-9-19-17)22-10-2-7-21-22/h2-10H,11-12H2,1H3,(H,20,23)
InChIKeyRUDCNXRWPUPWTE-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.38
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide

N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide (PubChem CID 95919234) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide
PubChem CID95919234
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide
SMILESCc1ccc(CNC(=O)CSc2nccnc2-n2cccn2)cc1
InChIInChI=1S/C17H17N5OS/c1-13-3-5-14(6-4-13)11-20-15(23)12-24-17-16(18-8-9-19-17)22-10-2-7-21-22/h2-10H,11-12H2,1H3,(H,20,23)
InChIKeyRUDCNXRWPUPWTE-UHFFFAOYSA-N
XLogP2.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid
CID 95916168
N-cyclohexyl-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide
CID 95919214
N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595384
N-[(4-ethylphenyl)methyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 50836037
2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 50838375
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 53073932
2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 27371669
2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 41412961
4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 31968271
N-benzyl-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082231
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 53334179

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide (CID 95919234) is N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide is Cc1ccc(CNC(=O)CSc2nccnc2-n2cccn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide?
The InChIKey is RUDCNXRWPUPWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-13-3-5-14(6-4-13)11-20-15(23)12-24-17-16(18-8-9-19-17)22-10-2-7-21-22/h2-10H,11-12H2,1H3,(H,20,23).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide?
N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide has a molecular weight of 339.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 95919234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).