N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide

C23H23N3O2 — CID 66635032

IUPACN-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(C#Cc2ccc(CC(C)NC(=O)c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C23H23N3O2/c1-3-28-21-12-10-19(11-13-21)5-4-18-6-8-20(9-7-18)16-17(2)25-23(27)22-14-15-24-26-22/h6-15,17H,3,16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyCXAGUOHAAFLABG-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.57
Rot. Bonds6

About N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide

N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 66635032) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID66635032
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(C#Cc2ccc(CC(C)NC(=O)c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C23H23N3O2/c1-3-28-21-12-10-19(11-13-21)5-4-18-6-8-20(9-7-18)16-17(2)25-23(27)22-14-15-24-26-22/h6-15,17H,3,16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyCXAGUOHAAFLABG-UHFFFAOYSA-N
XLogP3.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-{(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene}-1H-pyrazole-3-carbohydrazide
CID 9698850
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 723663
N-{[cis-4-(2-Phenoxyethyl)cyclohexyl]methyl}-1H-pyrazole-5-carboxamide
CID 44442104
N-methyl-2-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]phenoxy]benzamide
CID 117673406
N,N-dimethyl-3-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide
CID 117673407
N,N-dimethyl-3-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]phenoxy]benzamide
CID 117673422
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
N'-{3-[(4-fluorophenoxy)methyl]-4-methoxybenzylidene}-1H-pyrazole-3-carbohydrazide
CID 6874042
3-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 16022665
N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide
CID 166629984
N-[2-(4-ethoxyphenyl)ethyl]-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 16193356
N-(2-(4-ethoxybenzamido)ethyl)-4-methyl-1-phenyl-1H-pyrazole-3-carboxamide
CID 46884874

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide (CID 66635032) is N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide is CCOc1ccc(C#Cc2ccc(CC(C)NC(=O)c3ccn[nH]3)cc2)cc1.
What is the InChIKey of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is CXAGUOHAAFLABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-3-28-21-12-10-19(11-13-21)5-4-18-6-8-20(9-7-18)16-17(2)25-23(27)22-14-15-24-26-22/h6-15,17H,3,16H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide?
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.57, 6 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-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 66635032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).