N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide

C23H33N5O2 — CID 71845302

IUPACN'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide
SMILESCCN(CCNC(=O)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1)C1CC1
InChIInChI=1S/C23H33N5O2/c1-6-27(17-12-13-17)15-14-24-21(29)22(30)25-20-16(2)19(23(3,4)5)26-28(20)18-10-8-7-9-11-18/h7-11,17H,6,12-15H2,1-5H3,(H,24,29)(H,25,30)
InChIKeyGSVUDIWXBCHNOF-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.02
Rot. Bonds7

About N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide

N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide (PubChem CID 71845302) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide
PubChem CID71845302
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide
SMILESCCN(CCNC(=O)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1)C1CC1
InChIInChI=1S/C23H33N5O2/c1-6-27(17-12-13-17)15-14-24-21(29)22(30)25-20-16(2)19(23(3,4)5)26-28(20)18-10-8-7-9-11-18/h7-11,17H,6,12-15H2,1-5H3,(H,24,29)(H,25,30)
InChIKeyGSVUDIWXBCHNOF-UHFFFAOYSA-N
XLogP3.02
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]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-4-methyl-1-phenylpyrazol-5-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431769
1-[(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122084884
1-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 99810788
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 86897810
1-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86964499
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide
CID 86897789
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924420
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
CID 103638605
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
4-[2-[cyclopropyl(ethyl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 103739556
6-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]pyridine-2-carboxamide
CID 113304896
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethylamino)acetamide
CID 103814322

Frequently Asked Questions

What is the IUPAC name of N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide?
The IUPAC name of N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide (CID 71845302) is N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide.
What is the SMILES notation for N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide?
The canonical SMILES for N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide is CCN(CCNC(=O)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1)C1CC1.
What is the InChIKey of N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide?
The InChIKey is GSVUDIWXBCHNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-6-27(17-12-13-17)15-14-24-21(29)22(30)25-20-16(2)19(23(3,4)5)26-28(20)18-10-8-7-9-11-18/h7-11,17H,6,12-15H2,1-5H3,(H,24,29)(H,25,30).
What are the key properties of N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide?
N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide has a molecular weight of 411.55 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]oxamide is sourced from PubChem (CID 71845302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).