3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide

C13H16N4O2S — CID 115629975

IUPAC3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1[nH]ncc1C)c1cccs1
InChIInChI=1S/C13H16N4O2S/c1-8-7-14-17-13(8)16-12(19)6-10(15-9(2)18)11-4-3-5-20-11/h3-5,7,10H,6H2,1-2H3,(H,15,18)(H2,14,16,17,19)
InChIKeyZVOBQZZITFFSHX-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.99
Rot. Bonds5

About 3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide (PubChem CID 115629975) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide
PubChem CID115629975
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1[nH]ncc1C)c1cccs1
InChIInChI=1S/C13H16N4O2S/c1-8-7-14-17-13(8)16-12(19)6-10(15-9(2)18)11-4-3-5-20-11/h3-5,7,10H,6H2,1-2H3,(H,15,18)(H2,14,16,17,19)
InChIKeyZVOBQZZITFFSHX-UHFFFAOYSA-N
XLogP1.99
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
3-acetamido-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55655642
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide
CID 166327313
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-acetamido-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-3-thiophen-2-ylpropanamide
CID 42932035

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide (CID 115629975) is 3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1[nH]ncc1C)c1cccs1.
What is the InChIKey of 3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is ZVOBQZZITFFSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-7-14-17-13(8)16-12(19)6-10(15-9(2)18)11-4-3-5-20-11/h3-5,7,10H,6H2,1-2H3,(H,15,18)(H2,14,16,17,19).
What are the key properties of 3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 292.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 115629975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).