N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide

C14H17N3O3 — CID 6499769

IUPACN-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)Cn2cccn2)cc1
InChIInChI=1S/C14H17N3O3/c1-11(18)16-12-3-5-14(6-4-12)20-10-13(19)9-17-8-2-7-15-17/h2-8,13,19H,9-10H2,1H3,(H,16,18)
InChIKeyRSFIQKQJUANTDL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.28
Rot. Bonds6

About N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide

N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide (PubChem CID 6499769) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide
PubChem CID6499769
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)Cn2cccn2)cc1
InChIInChI=1S/C14H17N3O3/c1-11(18)16-12-3-5-14(6-4-12)20-10-13(19)9-17-8-2-7-15-17/h2-8,13,19H,9-10H2,1H3,(H,16,18)
InChIKeyRSFIQKQJUANTDL-UHFFFAOYSA-N
XLogP1.28
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide?
The IUPAC name of N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide (CID 6499769) is N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)Cn2cccn2)cc1.
What is the InChIKey of N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide?
The InChIKey is RSFIQKQJUANTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-11(18)16-12-3-5-14(6-4-12)20-10-13(19)9-17-8-2-7-15-17/h2-8,13,19H,9-10H2,1H3,(H,16,18).
What are the key properties of N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide?
N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 6499769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).