2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide

C13H24N4O — CID 43696292

IUPAC2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)c1cnn(C)c1C
InChIInChI=1S/C13H24N4O/c1-6-8(2)12(14)13(18)16-9(3)11-7-15-17(5)10(11)4/h7-9,12H,6,14H2,1-5H3,(H,16,18)
InChIKeyXKSDIQFCCCHOKG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.28
Rot. Bonds5

About 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide

2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide (PubChem CID 43696292) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
PubChem CID43696292
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)c1cnn(C)c1C
InChIInChI=1S/C13H24N4O/c1-6-8(2)12(14)13(18)16-9(3)11-7-15-17(5)10(11)4/h7-9,12H,6,14H2,1-5H3,(H,16,18)
InChIKeyXKSDIQFCCCHOKG-UHFFFAOYSA-N
XLogP1.28
TPSA72.94 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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride
CID 119797909
5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide
CID 104683752
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119293154
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 43696294
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 103951387
(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
CID 61258252
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide (CID 43696292) is 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NC(C)c1cnn(C)c1C.
What is the InChIKey of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide?
The InChIKey is XKSDIQFCCCHOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-8(2)12(14)13(18)16-9(3)11-7-15-17(5)10(11)4/h7-9,12H,6,14H2,1-5H3,(H,16,18).
What are the key properties of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide?
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide has a molecular weight of 252.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 43696292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).