N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide

C13H17N3O2S — CID 110928296

IUPACN-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2cccs2)nn1CCO
InChIInChI=1S/C13H17N3O2S/c1-2-4-13(18)14-12-9-10(11-5-3-8-19-11)15-16(12)6-7-17/h3,5,8-9,17H,2,4,6-7H2,1H3,(H,14,18)
InChIKeyYAPDCKMPOJNGSH-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.34
Rot. Bonds6

About N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide

N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide (PubChem CID 110928296) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
PubChem CID110928296
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2cccs2)nn1CCO
InChIInChI=1S/C13H17N3O2S/c1-2-4-13(18)14-12-9-10(11-5-3-8-19-11)15-16(12)6-7-17/h3,5,8-9,17H,2,4,6-7H2,1H3,(H,14,18)
InChIKeyYAPDCKMPOJNGSH-UHFFFAOYSA-N
XLogP2.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 110928235
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-hydroxyphenyl)acetamide
CID 110929023
3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 110928302
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
CID 110928260
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide
CID 110932034
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 136604738
3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide
CID 111456737
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 167942610
N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 136605545
4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
CID 82446954
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]pent-4-enamide
CID 110928314
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide
CID 110928306

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide (CID 110928296) is N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide is CCCC(=O)Nc1cc(-c2cccs2)nn1CCO.
What is the InChIKey of N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide?
The InChIKey is YAPDCKMPOJNGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-4-13(18)14-12-9-10(11-5-3-8-19-11)15-16(12)6-7-17/h3,5,8-9,17H,2,4,6-7H2,1H3,(H,14,18).
What are the key properties of N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide?
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide has a molecular weight of 279.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide is sourced from PubChem (CID 110928296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).