N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide

C13H17N3O3S — CID 121132078

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCC(O)c1ccsc1
InChIInChI=1S/C13H17N3O3S/c1-16-7-10(13(15-16)19-2)12(18)14-5-3-11(17)9-4-6-20-8-9/h4,6-8,11,17H,3,5H2,1-2H3,(H,14,18)
InChIKeyZUTIPAJHGOLBAK-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.34
Rot. Bonds6

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 121132078) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID121132078
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCC(O)c1ccsc1
InChIInChI=1S/C13H17N3O3S/c1-16-7-10(13(15-16)19-2)12(18)14-5-3-11(17)9-4-6-20-8-9/h4,6-8,11,17H,3,5H2,1-2H3,(H,14,18)
InChIKeyZUTIPAJHGOLBAK-UHFFFAOYSA-N
XLogP1.34
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 97416798
methyl 4-[[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]carbamoyl]benzoate
CID 99981118
2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132130
3-(2,5-dimethoxyphenyl)-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-1-methylpyrazole-5-carboxamide
CID 99981286
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide
CID 86264109
4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132069
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
CID 121132084
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 119101108
3-methoxy-1-thiophen-3-ylpropan-1-ol
CID 62608736
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide
CID 99981283
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide
CID 121132117

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide (CID 121132078) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCCC(O)c1ccsc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is ZUTIPAJHGOLBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-16-7-10(13(15-16)19-2)12(18)14-5-3-11(17)9-4-6-20-8-9/h4,6-8,11,17H,3,5H2,1-2H3,(H,14,18).
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121132078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).