N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide

C23H27N3O2 — CID 19331046

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
SMILESCCn1ccc(CNC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)n1
InChIInChI=1S/C23H27N3O2/c1-4-26-13-12-21(25-26)15-24-23(27)20-7-5-6-18(14-20)16-28-22-10-8-19(9-11-22)17(2)3/h5-14,17H,4,15-16H2,1-3H3,(H,24,27)
InChIKeyYOINOQQDCWPXTP-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.54
Rot. Bonds8

About N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide

N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide (PubChem CID 19331046) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
PubChem CID19331046
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
SMILESCCn1ccc(CNC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)n1
InChIInChI=1S/C23H27N3O2/c1-4-26-13-12-21(25-26)15-24-23(27)20-7-5-6-18(14-20)16-28-22-10-8-19(9-11-22)17(2)3/h5-14,17H,4,15-16H2,1-3H3,(H,24,27)
InChIKeyYOINOQQDCWPXTP-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331075
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19290598
N-[(1-ethylpyrazol-3-yl)methyl]-3-[(3-methyl-4-nitrophenoxy)methyl]benzamide
CID 19331090
N-[(2-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19294521
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752
1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19400220
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19283696
3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19403120
3-[(4-ethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449856
3-[(4-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 3392443
3-[(4-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 4055006

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide (CID 19331046) is N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide is CCn1ccc(CNC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide?
The InChIKey is YOINOQQDCWPXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-26-13-12-21(25-26)15-24-23(27)20-7-5-6-18(14-20)16-28-22-10-8-19(9-11-22)17(2)3/h5-14,17H,4,15-16H2,1-3H3,(H,24,27).
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide?
N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide is sourced from PubChem (CID 19331046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).