N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide

C13H17N3OS — CID 134698261

IUPACN-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide
SMILESCc1nn(C)cc1NC(=O)CCCc1cccs1
InChIInChI=1S/C13H17N3OS/c1-10-12(9-16(2)15-10)14-13(17)7-3-5-11-6-4-8-18-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,17)
InChIKeyDIJNTXPVGAUGGN-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.75
Rot. Bonds5

About N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide

N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide (PubChem CID 134698261) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide
PubChem CID134698261
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide
SMILESCc1nn(C)cc1NC(=O)CCCc1cccs1
InChIInChI=1S/C13H17N3OS/c1-10-12(9-16(2)15-10)14-13(17)7-3-5-11-6-4-8-18-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,17)
InChIKeyDIJNTXPVGAUGGN-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide
CID 82707214
N-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690
1-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]urea
CID 97434400
1-(1,3-dimethylpyrazol-4-yl)-3-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]urea
CID 97434401
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide
CID 167851976
N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
CID 47097276
N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide
CID 125136014

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide (CID 134698261) is N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide is Cc1nn(C)cc1NC(=O)CCCc1cccs1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is DIJNTXPVGAUGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-12(9-16(2)15-10)14-13(17)7-3-5-11-6-4-8-18-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,17).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide?
N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 263.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 134698261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).