4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide

C18H19N3O2S2 — CID 24502018

IUPAC4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCCSCc1ccsc1
InChIInChI=1S/C18H19N3O2S2/c1-23-16-11-21(15-5-3-2-4-6-15)20-17(16)18(22)19-8-10-25-13-14-7-9-24-12-14/h2-7,9,11-12H,8,10,13H2,1H3,(H,19,22)
InChIKeyXPZPSKBNZNAYCO-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.61
Rot. Bonds8

About 4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide

4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide (PubChem CID 24502018) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide
PubChem CID24502018
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCCSCc1ccsc1
InChIInChI=1S/C18H19N3O2S2/c1-23-16-11-21(15-5-3-2-4-6-15)20-17(16)18(22)19-8-10-25-13-14-7-9-24-12-14/h2-7,9,11-12H,8,10,13H2,1H3,(H,19,22)
InChIKeyXPZPSKBNZNAYCO-UHFFFAOYSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzylsulfanylethyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 9490337
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 32632343
methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
CID 36624024
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
2-N,6-N-bis[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridine-2,6-dicarboxamide
CID 39044507
4-methoxy-1-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyrazole-3-carboxamide
CID 33157859
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
CID 18284701
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 55892920
4-methoxy-N-[3-oxo-3-(pyridin-2-ylamino)propyl]-1-phenylpyrazole-3-carboxamide
CID 47034464
(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523414

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide (CID 24502018) is 4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NCCSCc1ccsc1.
What is the InChIKey of 4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is XPZPSKBNZNAYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-23-16-11-21(15-5-3-2-4-6-15)20-17(16)18(22)19-8-10-25-13-14-7-9-24-12-14/h2-7,9,11-12H,8,10,13H2,1H3,(H,19,22).
What are the key properties of 4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide?
4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 24502018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).