N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide

C21H30N6O2 — CID 97257711

IUPACN'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide
SMILESCN(C)[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)C1CC1
InChIInChI=1S/C21H30N6O2/c1-21(2,3)16-12-18(27(25-16)17-8-6-7-11-22-17)24-20(29)19(28)23-13-15(26(4)5)14-9-10-14/h6-8,11-12,14-15H,9-10,13H2,1-5H3,(H,23,28)(H,24,29)/t15-/m1/s1
InChIKeyRDLHOWCMFJPAOL-OAHLLOKOSA-N
MW398.51 g/mol
LogP1.96
Rot. Bonds6

About N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide

N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide (PubChem CID 97257711) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide
PubChem CID97257711
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide
SMILESCN(C)[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)C1CC1
InChIInChI=1S/C21H30N6O2/c1-21(2,3)16-12-18(27(25-16)17-8-6-7-11-22-17)24-20(29)19(28)23-13-15(26(4)5)14-9-10-14/h6-8,11-12,14-15H,9-10,13H2,1-5H3,(H,23,28)(H,24,29)/t15-/m1/s1
InChIKeyRDLHOWCMFJPAOL-OAHLLOKOSA-N
XLogP1.96
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 126766676
(2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide
CID 95279930
(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide
CID 52910343
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)-3-(2-fluorophenyl)sulfanylpropanamide
CID 56531405
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
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
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56531304
N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 56531427

Frequently Asked Questions

What is the IUPAC name of N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide?
The IUPAC name of N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide (CID 97257711) is N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide.
What is the SMILES notation for N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide?
The canonical SMILES for N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide is CN(C)[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)C1CC1.
What is the InChIKey of N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide?
The InChIKey is RDLHOWCMFJPAOL-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-21(2,3)16-12-18(27(25-16)17-8-6-7-11-22-17)24-20(29)19(28)23-13-15(26(4)5)14-9-10-14/h6-8,11-12,14-15H,9-10,13H2,1-5H3,(H,23,28)(H,24,29)/t15-/m1/s1.
What are the key properties of N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide?
N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide has a molecular weight of 398.51 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide is sourced from PubChem (CID 97257711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).