N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide

C24H25N3O2 — CID 66635175

IUPACN-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2ccc(OCCc3cn[nH]c3)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-18(27-19(2)28)15-22-7-5-20(6-8-22)3-4-21-9-11-24(12-10-21)29-14-13-23-16-25-26-17-23/h5-12,16-18H,13-15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyULACQIXMRDNBEL-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.50
Rot. Bonds7

About N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide

N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide (PubChem CID 66635175) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide
PubChem CID66635175
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2ccc(OCCc3cn[nH]c3)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-18(27-19(2)28)15-22-7-5-20(6-8-22)3-4-21-9-11-24(12-10-21)29-14-13-23-16-25-26-17-23/h5-12,16-18H,13-15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyULACQIXMRDNBEL-UHFFFAOYSA-N
XLogP3.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide (CID 66635175) is N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccc(C#Cc2ccc(OCCc3cn[nH]c3)cc2)cc1.
What is the InChIKey of N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide?
The InChIKey is ULACQIXMRDNBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18(27-19(2)28)15-22-7-5-20(6-8-22)3-4-21-9-11-24(12-10-21)29-14-13-23-16-25-26-17-23/h5-12,16-18H,13-15H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide?
N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide has a molecular weight of 387.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[4-[2-(1H-pyrazol-4-yl)ethoxy]phenyl]ethynyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 66635175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).