2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide

C13H24N4O — CID 104618583

IUPAC2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C13H24N4O/c1-6-13(14,7-2)11(18)15-10-8-9(16-17-10)12(3,4)5/h8H,6-7,14H2,1-5H3,(H2,15,16,17,18)
InChIKeyLAIDUPSXGFAVNY-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.16
Rot. Bonds4

About 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide

2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide (PubChem CID 104618583) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
PubChem CID104618583
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C13H24N4O/c1-6-13(14,7-2)11(18)15-10-8-9(16-17-10)12(3,4)5/h8H,6-7,14H2,1-5H3,(H2,15,16,17,18)
InChIKeyLAIDUPSXGFAVNY-UHFFFAOYSA-N
XLogP2.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717
1-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide
CID 115976312
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
CID 113433784
ethyl 4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobutanoate
CID 113226291
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
CID 113226294
2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate
CID 104621843
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide?
The IUPAC name of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide (CID 104618583) is 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide?
The InChIKey is LAIDUPSXGFAVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-13(14,7-2)11(18)15-10-8-9(16-17-10)12(3,4)5/h8H,6-7,14H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide?
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide has a molecular weight of 252.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide is sourced from PubChem (CID 104618583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).