3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide

C15H28N4O — CID 99777362

IUPAC3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide
SMILESCc1nn(C(C)(C)C)cc1[C@@H](C)NCC(C)(C)C(N)=O
InChIInChI=1S/C15H28N4O/c1-10(17-9-15(6,7)13(16)20)12-8-19(14(3,4)5)18-11(12)2/h8,10,17H,9H2,1-7H3,(H2,16,20)/t10-/m1/s1
InChIKeyZCMLWWMRQDBPKH-SNVBAGLBSA-N
MW280.42 g/mol
LogP2.11
Rot. Bonds5

About 3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide

3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide (PubChem CID 99777362) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide
PubChem CID99777362
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide
SMILESCc1nn(C(C)(C)C)cc1[C@@H](C)NCC(C)(C)C(N)=O
InChIInChI=1S/C15H28N4O/c1-10(17-9-15(6,7)13(16)20)12-8-19(14(3,4)5)18-11(12)2/h8,10,17H,9H2,1-7H3,(H2,16,20)/t10-/m1/s1
InChIKeyZCMLWWMRQDBPKH-SNVBAGLBSA-N
XLogP2.11
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide (CID 99777362) is 3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide is Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(C)(C)C(N)=O.
What is the InChIKey of 3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide?
The InChIKey is ZCMLWWMRQDBPKH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H28N4O/c1-10(17-9-15(6,7)13(16)20)12-8-19(14(3,4)5)18-11(12)2/h8,10,17H,9H2,1-7H3,(H2,16,20)/t10-/m1/s1.
What are the key properties of 3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide?
3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide has a molecular weight of 280.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 99777362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).