(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide

C17H24N4O2 — CID 52910343

IUPAC(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1
InChIInChI=1S/C17H24N4O2/c1-6-23-12(2)16(22)19-15-11-13(17(3,4)5)20-21(15)14-9-7-8-10-18-14/h7-12H,6H2,1-5H3,(H,19,22)/t12-/m0/s1
InChIKeyARCMIBTZGMRABW-LBPRGKRZSA-N
MW316.41 g/mol
LogP2.93
Rot. Bonds5

About (2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide

(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide (PubChem CID 52910343) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide
PubChem CID52910343
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1
InChIInChI=1S/C17H24N4O2/c1-6-23-12(2)16(22)19-15-11-13(17(3,4)5)20-21(15)14-9-7-8-10-18-14/h7-12H,6H2,1-5H3,(H,19,22)/t12-/m0/s1
InChIKeyARCMIBTZGMRABW-LBPRGKRZSA-N
XLogP2.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
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)-3-(4-ethoxyphenyl)propanamide
CID 56550449
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 56550578
3-acetamido-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-thiophen-2-ylpropanamide
CID 56531306
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)hexa-2,4-dienamide
CID 72687232
4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid
CID 122089728
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)-3-(2-fluorophenyl)sulfanylpropanamide
CID 56531405
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide
CID 99787256

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide?
The IUPAC name of (2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide (CID 52910343) is (2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide.
What is the SMILES notation for (2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide?
The canonical SMILES for (2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide is CCO[C@@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1.
What is the InChIKey of (2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide?
The InChIKey is ARCMIBTZGMRABW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-6-23-12(2)16(22)19-15-11-13(17(3,4)5)20-21(15)14-9-7-8-10-18-14/h7-12H,6H2,1-5H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide?
(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide has a molecular weight of 316.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide is sourced from PubChem (CID 52910343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).