N-benzyl-3-pyrazol-1-ylbutanamide

C14H17N3O — CID 45106833

IUPACN-benzyl-3-pyrazol-1-ylbutanamide
SMILESCC(CC(=O)NCc1ccccc1)n1cccn1
InChIInChI=1S/C14H17N3O/c1-12(17-9-5-8-16-17)10-14(18)15-11-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,15,18)
InChIKeyDZEDGXMAEYHHQH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.15
Rot. Bonds5

About N-benzyl-3-pyrazol-1-ylbutanamide

N-benzyl-3-pyrazol-1-ylbutanamide (PubChem CID 45106833) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-benzyl-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-benzyl-3-pyrazol-1-ylbutanamide
PubChem CID45106833
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-benzyl-3-pyrazol-1-ylbutanamide
SMILESCC(CC(=O)NCc1ccccc1)n1cccn1
InChIInChI=1S/C14H17N3O/c1-12(17-9-5-8-16-17)10-14(18)15-11-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,15,18)
InChIKeyDZEDGXMAEYHHQH-UHFFFAOYSA-N
XLogP2.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-pyrazol-1-ylbutanamide?
The IUPAC name of N-benzyl-3-pyrazol-1-ylbutanamide (CID 45106833) is N-benzyl-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-benzyl-3-pyrazol-1-ylbutanamide?
The canonical SMILES for N-benzyl-3-pyrazol-1-ylbutanamide is CC(CC(=O)NCc1ccccc1)n1cccn1.
What is the InChIKey of N-benzyl-3-pyrazol-1-ylbutanamide?
The InChIKey is DZEDGXMAEYHHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-12(17-9-5-8-16-17)10-14(18)15-11-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,15,18).
What are the key properties of N-benzyl-3-pyrazol-1-ylbutanamide?
N-benzyl-3-pyrazol-1-ylbutanamide has a molecular weight of 243.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 45106833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).