N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide

C17H23N3O — CID 134048564

IUPACN-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)C(C)n1cccn1
InChIInChI=1S/C17H23N3O/c1-4-14(2)19(13-16-9-6-5-7-10-16)17(21)15(3)20-12-8-11-18-20/h5-12,14-15H,4,13H2,1-3H3
InChIKeyGUNOSUNUJCICES-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.27
Rot. Bonds6

About N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide

N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide (PubChem CID 134048564) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide
PubChem CID134048564
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)C(C)n1cccn1
InChIInChI=1S/C17H23N3O/c1-4-14(2)19(13-16-9-6-5-7-10-16)17(21)15(3)20-12-8-11-18-20/h5-12,14-15H,4,13H2,1-3H3
InChIKeyGUNOSUNUJCICES-UHFFFAOYSA-N
XLogP3.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide (CID 134048564) is N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide is CCC(C)N(Cc1ccccc1)C(=O)C(C)n1cccn1.
What is the InChIKey of N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide?
The InChIKey is GUNOSUNUJCICES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-14(2)19(13-16-9-6-5-7-10-16)17(21)15(3)20-12-8-11-18-20/h5-12,14-15H,4,13H2,1-3H3.
What are the key properties of N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide?
N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide has a molecular weight of 285.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134048564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).