N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide

C23H28N4O2 — CID 56550449

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc1
InChIInChI=1S/C23H28N4O2/c1-5-29-18-12-9-17(10-13-18)11-14-22(28)25-21-16-19(23(2,3)4)26-27(21)20-8-6-7-15-24-20/h6-10,12-13,15-16H,5,11,14H2,1-4H3,(H,25,28)
InChIKeyXLDRDCVWAQXCNM-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.53
Rot. Bonds7

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide (PubChem CID 56550449) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide
PubChem CID56550449
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc1
InChIInChI=1S/C23H28N4O2/c1-5-29-18-12-9-17(10-13-18)11-14-22(28)25-21-16-19(23(2,3)4)26-27(21)20-8-6-7-15-24-20/h6-10,12-13,15-16H,5,11,14H2,1-4H3,(H,25,28)
InChIKeyXLDRDCVWAQXCNM-UHFFFAOYSA-N
XLogP4.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56550479
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56531304
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-ethoxybenzamide
CID 56531789
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide
CID 56531767
(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide
CID 52910343
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 56531740
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 56550857
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 56550578
4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid
CID 122089728
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 56531464

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide (CID 56550449) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide?
The InChIKey is XLDRDCVWAQXCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-5-29-18-12-9-17(10-13-18)11-14-22(28)25-21-16-19(23(2,3)4)26-27(21)20-8-6-7-15-24-20/h6-10,12-13,15-16H,5,11,14H2,1-4H3,(H,25,28).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide has a molecular weight of 392.50 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 56550449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).