2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide

C13H24N4O — CID 43778264

IUPAC2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H24N4O/c1-6-14-12(18)10(2)15-7-11-8-16-17(9-11)13(3,4)5/h8-10,15H,6-7H2,1-5H3,(H,14,18)
InChIKeyLUMFCFLBQQSXFD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.25
Rot. Bonds5

About 2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide

2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide (PubChem CID 43778264) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide
PubChem CID43778264
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H24N4O/c1-6-14-12(18)10(2)15-7-11-8-16-17(9-11)13(3,4)5/h8-10,15H,6-7H2,1-5H3,(H,14,18)
InChIKeyLUMFCFLBQQSXFD-UHFFFAOYSA-N
XLogP1.25
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-tert-butylpyrazol-4-yl)methyl]pentan-2-amine
CID 43757996
N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate
CID 107251113
N-[(1-tert-butylpyrazol-4-yl)methyl]heptan-2-amine
CID 43778077
2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 61247444
N-[(1-tert-butylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115660312
N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine
CID 43769272
N-[(1-tert-butylpyrazol-4-yl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688222
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946182
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate
CID 43787222

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide (CID 43778264) is 2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCc1cnn(C(C)(C)C)c1.
What is the InChIKey of 2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide?
The InChIKey is LUMFCFLBQQSXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-14-12(18)10(2)15-7-11-8-16-17(9-11)13(3,4)5/h8-10,15H,6-7H2,1-5H3,(H,14,18).
What are the key properties of 2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide?
2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide is sourced from PubChem (CID 43778264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).