N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide

C11H19N3O — CID 19555821

IUPACN-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide
SMILESCCC(C)NC(=O)CCn1ccc(C)n1
InChIInChI=1S/C11H19N3O/c1-4-9(2)12-11(15)6-8-14-7-5-10(3)13-14/h5,7,9H,4,6,8H2,1-3H3,(H,12,15)
InChIKeyUZWBJRSNCAMLRZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.50
Rot. Bonds5

About N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide

N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19555821) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID19555821
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide
SMILESCCC(C)NC(=O)CCn1ccc(C)n1
InChIInChI=1S/C11H19N3O/c1-4-9(2)12-11(15)6-8-14-7-5-10(3)13-14/h5,7,9H,4,6,8H2,1-3H3,(H,12,15)
InChIKeyUZWBJRSNCAMLRZ-UHFFFAOYSA-N
XLogP1.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide (CID 19555821) is N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide is CCC(C)NC(=O)CCn1ccc(C)n1.
What is the InChIKey of N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is UZWBJRSNCAMLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-9(2)12-11(15)6-8-14-7-5-10(3)13-14/h5,7,9H,4,6,8H2,1-3H3,(H,12,15).
What are the key properties of N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide?
N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 209.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19555821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).