2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide

C13H24N4O — CID 112669318

IUPAC2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCc1cn(C)nc1CC
InChIInChI=1S/C13H24N4O/c1-6-11-10(9-17(5)16-11)8-14-12(18)13(3,4)15-7-2/h9,15H,6-8H2,1-5H3,(H,14,18)
InChIKeyAYEBFUMLNFICIX-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.99
Rot. Bonds6

About 2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide

2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide (PubChem CID 112669318) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide
PubChem CID112669318
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCc1cn(C)nc1CC
InChIInChI=1S/C13H24N4O/c1-6-11-10(9-17(5)16-11)8-14-12(18)13(3,4)15-7-2/h9,15H,6-8H2,1-5H3,(H,14,18)
InChIKeyAYEBFUMLNFICIX-UHFFFAOYSA-N
XLogP0.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 112669353
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
2-(ethylamino)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 62836683
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpentanamide
CID 107472643
tert-butyl 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-oxobutanoate
CID 106707672
2-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]butanamide
CID 112668671
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490
2-(ethylamino)-N-[(2-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114332310

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide (CID 112669318) is 2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide is CCNC(C)(C)C(=O)NCc1cn(C)nc1CC.
What is the InChIKey of 2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide?
The InChIKey is AYEBFUMLNFICIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-11-10(9-17(5)16-11)8-14-12(18)13(3,4)15-7-2/h9,15H,6-8H2,1-5H3,(H,14,18).
What are the key properties of 2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide?
2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 112669318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).