2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide

C11H20N4O — CID 79810025

IUPAC2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
SMILESCCn1cc(NC(=O)C(N)(CC)CC)cn1
InChIInChI=1S/C11H20N4O/c1-4-11(12,5-2)10(16)14-9-7-13-15(6-3)8-9/h7-8H,4-6,12H2,1-3H3,(H,14,16)
InChIKeyFDGHKHZBPHBJFB-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.36
Rot. Bonds5

About 2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide

2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide (PubChem CID 79810025) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
PubChem CID79810025
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
SMILESCCn1cc(NC(=O)C(N)(CC)CC)cn1
InChIInChI=1S/C11H20N4O/c1-4-11(12,5-2)10(16)14-9-7-13-15(6-3)8-9/h7-8H,4-6,12H2,1-3H3,(H,14,16)
InChIKeyFDGHKHZBPHBJFB-UHFFFAOYSA-N
XLogP1.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119728601
2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide
CID 114290372
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
(1-ethylpyrazol-4-yl)thiourea
CID 43543607
N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548611
1-amino-N-(1-ethylpyrazol-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119292190
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide
CID 43643735

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide?
The IUPAC name of 2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide (CID 79810025) is 2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide is CCn1cc(NC(=O)C(N)(CC)CC)cn1.
What is the InChIKey of 2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide?
The InChIKey is FDGHKHZBPHBJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-11(12,5-2)10(16)14-9-7-13-15(6-3)8-9/h7-8H,4-6,12H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide?
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide has a molecular weight of 224.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide is sourced from PubChem (CID 79810025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).