N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide

C13H17N3OS — CID 122265035

IUPACN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
SMILESCCCC(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C13H17N3OS/c1-2-5-13(17)14-10-11(12-6-3-9-18-12)16-8-4-7-15-16/h3-4,6-9,11H,2,5,10H2,1H3,(H,14,17)
InChIKeyRNAMBNYZEHCIDJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.45
Rot. Bonds6

About N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide (PubChem CID 122265035) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
PubChem CID122265035
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
SMILESCCCC(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C13H17N3OS/c1-2-5-13(17)14-10-11(12-6-3-9-18-12)16-8-4-7-15-16/h3-4,6-9,11H,2,5,10H2,1H3,(H,14,17)
InChIKeyRNAMBNYZEHCIDJ-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265128
3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265200
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
4-(1,3-dioxoisoindol-2-yl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265180
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265215
2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 119102022
N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
CID 122265353
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265088
2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265100
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide?
The IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide (CID 122265035) is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide is CCCC(=O)NCC(c1cccs1)n1cccn1.
What is the InChIKey of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide?
The InChIKey is RNAMBNYZEHCIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-5-13(17)14-10-11(12-6-3-9-18-12)16-8-4-7-15-16/h3-4,6-9,11H,2,5,10H2,1H3,(H,14,17).
What are the key properties of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide?
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide has a molecular weight of 263.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 122265035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).