N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

C18H18N4O2S — CID 51128562

IUPACN-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCOc1ccccc1-c1cc(NC(=O)CSCc2ccccn2)n[nH]1
InChIInChI=1S/C18H18N4O2S/c1-24-16-8-3-2-7-14(16)15-10-17(22-21-15)20-18(23)12-25-11-13-6-4-5-9-19-13/h2-10H,11-12H2,1H3,(H2,20,21,22,23)
InChIKeyAHOWYBPVMNZGFQ-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.35
Rot. Bonds7

About N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 51128562) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID51128562
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCOc1ccccc1-c1cc(NC(=O)CSCc2ccccn2)n[nH]1
InChIInChI=1S/C18H18N4O2S/c1-24-16-8-3-2-7-14(16)15-10-17(22-21-15)20-18(23)12-25-11-13-6-4-5-9-19-13/h2-10H,11-12H2,1H3,(H2,20,21,22,23)
InChIKeyAHOWYBPVMNZGFQ-UHFFFAOYSA-N
XLogP3.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55826578
4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 51099258
2-(4-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]acetamide
CID 51098942
2-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 51099256
(3R)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52513892
(3S)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52513893
methyl N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 97211863
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 51099249
4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552510
4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566131
2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552729
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55825043

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 51128562) is N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is COc1ccccc1-c1cc(NC(=O)CSCc2ccccn2)n[nH]1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is AHOWYBPVMNZGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-24-16-8-3-2-7-14(16)15-10-17(22-21-15)20-18(23)12-25-11-13-6-4-5-9-19-13/h2-10H,11-12H2,1H3,(H2,20,21,22,23).
What are the key properties of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 354.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 51128562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).