3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide

C21H25N5O2S — CID 56531306

IUPAC3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)c1cccs1
InChIInChI=1S/C21H25N5O2S/c1-14(27)23-15(16-8-7-11-29-16)12-20(28)24-19-13-17(21(2,3)4)25-26(19)18-9-5-6-10-22-18/h5-11,13,15H,12H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyJRXIBRQHZVEDOG-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.83
Rot. Bonds6

About 3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide (PubChem CID 56531306) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide
PubChem CID56531306
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)c1cccs1
InChIInChI=1S/C21H25N5O2S/c1-14(27)23-15(16-8-7-11-29-16)12-20(28)24-19-13-17(21(2,3)4)25-26(19)18-9-5-6-10-22-18/h5-11,13,15H,12H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyJRXIBRQHZVEDOG-UHFFFAOYSA-N
XLogP3.83
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 56550762
(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide
CID 52910343
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56531304
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 56551145
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 56531536
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide
CID 56550449
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 56531405
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)hexa-2,4-dienamide
CID 72687232
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide
CID 99787256
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 56550822

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide (CID 56531306) is 3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)c1cccs1.
What is the InChIKey of 3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is JRXIBRQHZVEDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-14(27)23-15(16-8-7-11-29-16)12-20(28)24-19-13-17(21(2,3)4)25-26(19)18-9-5-6-10-22-18/h5-11,13,15H,12H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 411.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 56531306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).