4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide

C26H26N4O2 — CID 95805509

IUPAC4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
SMILESCCOCc1ccc(C(=O)NCc2cccc(-c3[nH]ncc3-c3ccncc3C)c2)cc1
InChIInChI=1S/C26H26N4O2/c1-3-32-17-19-7-9-21(10-8-19)26(31)28-15-20-5-4-6-22(13-20)25-24(16-29-30-25)23-11-12-27-14-18(23)2/h4-14,16H,3,15,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyNBKHOXASMFJGSP-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.91
Rot. Bonds8

About 4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide

4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide (PubChem CID 95805509) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
PubChem CID95805509
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
SMILESCCOCc1ccc(C(=O)NCc2cccc(-c3[nH]ncc3-c3ccncc3C)c2)cc1
InChIInChI=1S/C26H26N4O2/c1-3-32-17-19-7-9-21(10-8-19)26(31)28-15-20-5-4-6-22(13-20)25-24(16-29-30-25)23-11-12-27-14-18(23)2/h4-14,16H,3,15,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyNBKHOXASMFJGSP-UHFFFAOYSA-N
XLogP4.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
CID 95805486
N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 58302750
ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol
CID 142337828
N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
CID 37358180
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(5-methyl-1H-pyrazol-4-yl)benzamide
CID 90353897
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide
CID 50831636
5-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824448
N-methyl-N-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide
CID 69087224

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide?
The IUPAC name of 4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide (CID 95805509) is 4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide?
The canonical SMILES for 4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide is CCOCc1ccc(C(=O)NCc2cccc(-c3[nH]ncc3-c3ccncc3C)c2)cc1.
What is the InChIKey of 4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide?
The InChIKey is NBKHOXASMFJGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-3-32-17-19-7-9-21(10-8-19)26(31)28-15-20-5-4-6-22(13-20)25-24(16-29-30-25)23-11-12-27-14-18(23)2/h4-14,16H,3,15,17H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide?
4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-N-[[3-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 95805509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).