N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide

C14H19N3OS — CID 47097276

IUPACN-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
SMILESCC(C)n1nccc1NC(=O)CCCc1cccs1
InChIInChI=1S/C14H19N3OS/c1-11(2)17-13(8-9-15-17)16-14(18)7-3-5-12-6-4-10-19-12/h4,6,8-11H,3,5,7H2,1-2H3,(H,16,18)
InChIKeyOQWXBOPOJDXHPP-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.49
Rot. Bonds6

About N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide

N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide (PubChem CID 47097276) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
PubChem CID47097276
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
SMILESCC(C)n1nccc1NC(=O)CCCc1cccs1
InChIInChI=1S/C14H19N3OS/c1-11(2)17-13(8-9-15-17)16-14(18)7-3-5-12-6-4-10-19-12/h4,6,8-11H,3,5,7H2,1-2H3,(H,16,18)
InChIKeyOQWXBOPOJDXHPP-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid
CID 91953257
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide
CID 125136014
N-[4-oxo-4-[(2-propan-2-ylpyrazol-3-yl)amino]butyl]benzamide
CID 30183656
N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 42958667
4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 42957346
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide
CID 79499676

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide (CID 47097276) is N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide is CC(C)n1nccc1NC(=O)CCCc1cccs1.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is OQWXBOPOJDXHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11(2)17-13(8-9-15-17)16-14(18)7-3-5-12-6-4-10-19-12/h4,6,8-11H,3,5,7H2,1-2H3,(H,16,18).
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide?
N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 277.39 g/mol, XLogP of 3.49, 6 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)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 47097276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).