2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide

C13H24N4O — CID 54863652

IUPAC2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide
SMILESCCCC(N)C(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C13H24N4O/c1-6-7-11(14)13(18)15-12-9(4)16-17(8(2)3)10(12)5/h8,11H,6-7,14H2,1-5H3,(H,15,18)
InChIKeyMIPJFWFQMBFOBF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.15
Rot. Bonds5

About 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide

2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide (PubChem CID 54863652) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide
PubChem CID54863652
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide
SMILESCCCC(N)C(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C13H24N4O/c1-6-7-11(14)13(18)15-12-9(4)16-17(8(2)3)10(12)5/h8,11H,6-7,14H2,1-5H3,(H,15,18)
InChIKeyMIPJFWFQMBFOBF-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide?
The IUPAC name of 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide (CID 54863652) is 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide?
The canonical SMILES for 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide is CCCC(N)C(=O)Nc1c(C)nn(C(C)C)c1C.
What is the InChIKey of 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide?
The InChIKey is MIPJFWFQMBFOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-7-11(14)13(18)15-12-9(4)16-17(8(2)3)10(12)5/h8,11H,6-7,14H2,1-5H3,(H,15,18).
What are the key properties of 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide?
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide has a molecular weight of 252.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide is sourced from PubChem (CID 54863652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).