3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide

C16H22N4O2S — CID 50960014

IUPAC3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)c1sccc1NC(C)=O
InChIInChI=1S/C16H22N4O2S/c1-5-12(6-2)20-14(9-10(3)19-20)18-16(22)15-13(7-8-23-15)17-11(4)21/h7-9,12H,5-6H2,1-4H3,(H,17,21)(H,18,22)
InChIKeySZFBYNKEJPRLAK-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.82
Rot. Bonds6

About 3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide

3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 50960014) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID50960014
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)c1sccc1NC(C)=O
InChIInChI=1S/C16H22N4O2S/c1-5-12(6-2)20-14(9-10(3)19-20)18-16(22)15-13(7-8-23-15)17-11(4)21/h7-9,12H,5-6H2,1-4H3,(H,17,21)(H,18,22)
InChIKeySZFBYNKEJPRLAK-UHFFFAOYSA-N
XLogP3.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)propanamide
CID 46999276
3-fluoro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 50952644
3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 46992442
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 46993346
(2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
CID 154886321
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide
CID 46993773
N-[2-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]thiophen-3-yl]acetamide
CID 115674351
4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
CID 45284687
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43171756
N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
CID 110008789
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43352735
N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide
CID 45284668

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide (CID 50960014) is 3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide is CCC(CC)n1nc(C)cc1NC(=O)c1sccc1NC(C)=O.
What is the InChIKey of 3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is SZFBYNKEJPRLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-5-12(6-2)20-14(9-10(3)19-20)18-16(22)15-13(7-8-23-15)17-11(4)21/h7-9,12H,5-6H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of 3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide?
3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 50960014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).