N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

C23H21N3O2 — CID 51046553

IUPACN-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C23H21N3O2/c1-2-28-22-13-6-4-9-17(22)15-24-23(27)21-14-20(25-26-21)19-12-7-10-16-8-3-5-11-18(16)19/h3-14H,2,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyOCHALNPNCKPASB-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.56
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (PubChem CID 51046553) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
PubChem CID51046553
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C23H21N3O2/c1-2-28-22-13-6-4-9-17(22)15-24-23(27)21-14-20(25-26-21)19-12-7-10-16-8-3-5-11-18(16)19/h3-14H,2,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyOCHALNPNCKPASB-UHFFFAOYSA-N
XLogP4.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046359
ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
CID 51046380
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091776
2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide
CID 56796065
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
(2R)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxypropanamide
CID 94015852
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091871
(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94028066
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70730689
N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353296

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (CID 51046553) is N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is CCOc1ccccc1CNC(=O)c1cc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The InChIKey is OCHALNPNCKPASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-28-22-13-6-4-9-17(22)15-24-23(27)21-14-20(25-26-21)19-12-7-10-16-8-3-5-11-18(16)19/h3-14H,2,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51046553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).