N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide

C13H17N3OS — CID 47110779

IUPACN-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
SMILESCC(C)n1nccc1NC(=O)CCc1ccsc1
InChIInChI=1S/C13H17N3OS/c1-10(2)16-12(5-7-14-16)15-13(17)4-3-11-6-8-18-9-11/h5-10H,3-4H2,1-2H3,(H,15,17)
InChIKeyCKSRZOSUDKKWQE-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.10
Rot. Bonds5

About N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide

N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide (PubChem CID 47110779) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
PubChem CID47110779
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
SMILESCC(C)n1nccc1NC(=O)CCc1ccsc1
InChIInChI=1S/C13H17N3OS/c1-10(2)16-12(5-7-14-16)15-13(17)4-3-11-6-8-18-9-11/h5-10H,3-4H2,1-2H3,(H,15,17)
InChIKeyCKSRZOSUDKKWQE-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 38995471
3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide
CID 30183849
N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
CID 47097276
3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186764
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide
CID 71993648
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707
4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 78772185
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-thiophen-3-ylpropanamide
CID 43033842
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30184017

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide (CID 47110779) is N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide is CC(C)n1nccc1NC(=O)CCc1ccsc1.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is CKSRZOSUDKKWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10(2)16-12(5-7-14-16)15-13(17)4-3-11-6-8-18-9-11/h5-10H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide?
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 263.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 47110779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).