N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide

C15H19N3O2 — CID 46339342

IUPACN-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide
SMILESCCOc1ccc(CNC(=O)CCn2cccn2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-20-14-6-4-13(5-7-14)12-16-15(19)8-11-18-10-3-9-17-18/h3-7,9-10H,2,8,11-12H2,1H3,(H,16,19)
InChIKeyPUHMKVHCKCCYMO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.99
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide

N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide (PubChem CID 46339342) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide
PubChem CID46339342
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide
SMILESCCOc1ccc(CNC(=O)CCn2cccn2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-20-14-6-4-13(5-7-14)12-16-15(19)8-11-18-10-3-9-17-18/h3-7,9-10H,2,8,11-12H2,1H3,(H,16,19)
InChIKeyPUHMKVHCKCCYMO-UHFFFAOYSA-N
XLogP1.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide (CID 46339342) is N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide is CCOc1ccc(CNC(=O)CCn2cccn2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is PUHMKVHCKCCYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-20-14-6-4-13(5-7-14)12-16-15(19)8-11-18-10-3-9-17-18/h3-7,9-10H,2,8,11-12H2,1H3,(H,16,19).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide?
N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 46339342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).