N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide

C13H17N3OS — CID 91777778

IUPACN-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide
SMILESCC(CCn1cccn1)NC(=O)Cc1ccsc1
InChIInChI=1S/C13H17N3OS/c1-11(3-7-16-6-2-5-14-16)15-13(17)9-12-4-8-18-10-12/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,15,17)
InChIKeyTWMGPJHXBLUKAA-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.08
Rot. Bonds6

About N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide

N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide (PubChem CID 91777778) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide
PubChem CID91777778
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide
SMILESCC(CCn1cccn1)NC(=O)Cc1ccsc1
InChIInChI=1S/C13H17N3OS/c1-11(3-7-16-6-2-5-14-16)15-13(17)9-12-4-8-18-10-12/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,15,17)
InChIKeyTWMGPJHXBLUKAA-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 43074999
3-pyrazol-1-yl-N-(1-thiophen-2-ylethyl)propanamide
CID 45802489
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45818631
N-(1-pyrazol-1-ylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 45818981
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-3-ylethyl)urea
CID 45828490
N-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 45831241
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 45887140
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide
CID 49055645
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide
CID 53499394
1-[2-(Dimethylamino)-2-thiophen-3-ylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53502856
3-pyrazol-1-yl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 53526247
N-methyl-2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 53529910

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide (CID 91777778) is N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide is CC(CCn1cccn1)NC(=O)Cc1ccsc1.
What is the InChIKey of N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide?
The InChIKey is TWMGPJHXBLUKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-11(3-7-16-6-2-5-14-16)15-13(17)9-12-4-8-18-10-12/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,15,17).
What are the key properties of N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide?
N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide has a molecular weight of 263.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylbutan-2-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91777778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).