2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide

C13H24N4O — CID 43116762

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)n1nc(C)c(N)c1C
InChIInChI=1S/C13H24N4O/c1-6-11(7-2)15-13(18)10(5)17-9(4)12(14)8(3)16-17/h10-11H,6-7,14H2,1-5H3,(H,15,18)
InChIKeyWJGWITSPCRZCMQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.95
Rot. Bonds5

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide (PubChem CID 43116762) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide
PubChem CID43116762
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)n1nc(C)c(N)c1C
InChIInChI=1S/C13H24N4O/c1-6-11(7-2)15-13(18)10(5)17-9(4)12(14)8(3)16-17/h10-11H,6-7,14H2,1-5H3,(H,15,18)
InChIKeyWJGWITSPCRZCMQ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide (CID 43116762) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)n1nc(C)c(N)c1C.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide?
The InChIKey is WJGWITSPCRZCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-11(7-2)15-13(18)10(5)17-9(4)12(14)8(3)16-17/h10-11H,6-7,14H2,1-5H3,(H,15,18).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43116762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).