N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide

C16H24N6O2 — CID 91648574

IUPACN'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide
SMILESCc1nn(C(C)(C)C)cc1C(C)NC(=O)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C16H24N6O2/c1-10(12-9-22(16(3,4)5)19-11(12)2)17-14(23)15(24)18-13-7-8-21(6)20-13/h7-10H,1-6H3,(H,17,23)(H,18,20,24)
InChIKeyAVPCVRJJHWKGNJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.50
Rot. Bonds3

About N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide

N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide (PubChem CID 91648574) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide.

Molecular Properties

Compound NameN'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide
PubChem CID91648574
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide
SMILESCc1nn(C(C)(C)C)cc1C(C)NC(=O)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C16H24N6O2/c1-10(12-9-22(16(3,4)5)19-11(12)2)17-14(23)15(24)18-13-7-8-21(6)20-13/h7-10H,1-6H3,(H,17,23)(H,18,20,24)
InChIKeyAVPCVRJJHWKGNJ-UHFFFAOYSA-N
XLogP1.50
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 120550634
1-tert-butyl-3-methyl-4-propan-2-ylpyrazole
CID 126758593
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-3-amine
CID 65197071
4-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 122010224
1-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(thiophen-3-ylmethyl)urea
CID 75523892
3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide
CID 99777362
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea
CID 95336400
1-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 86795561
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 75478681
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-ethylpyridine-3-carboxamide
CID 133477615
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylmorpholine-4-carboxamide
CID 86795872

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide?
The IUPAC name of N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide (CID 91648574) is N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide.
What is the SMILES notation for N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide?
The canonical SMILES for N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide is Cc1nn(C(C)(C)C)cc1C(C)NC(=O)C(=O)Nc1ccn(C)n1.
What is the InChIKey of N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide?
The InChIKey is AVPCVRJJHWKGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-10(12-9-22(16(3,4)5)19-11(12)2)17-14(23)15(24)18-13-7-8-21(6)20-13/h7-10H,1-6H3,(H,17,23)(H,18,20,24).
What are the key properties of N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide?
N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide has a molecular weight of 332.41 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-N-(1-methylpyrazol-3-yl)oxamide is sourced from PubChem (CID 91648574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).