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

C22H25N3O2 — CID 118785042

IUPAC3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
SMILESCCn1cc(-c2cccc(C(=O)NCc3cccc(OC(C)C)c3)c2)cn1
InChIInChI=1S/C22H25N3O2/c1-4-25-15-20(14-24-25)18-8-6-9-19(12-18)22(26)23-13-17-7-5-10-21(11-17)27-16(2)3/h5-12,14-16H,4,13H2,1-3H3,(H,23,26)
InChIKeyZRKHSXNGUNNWFF-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.29
Rot. Bonds7

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

3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 118785042) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID118785042
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
SMILESCCn1cc(-c2cccc(C(=O)NCc3cccc(OC(C)C)c3)c2)cn1
InChIInChI=1S/C22H25N3O2/c1-4-25-15-20(14-24-25)18-8-6-9-19(12-18)22(26)23-13-17-7-5-10-21(11-17)27-16(2)3/h5-12,14-16H,4,13H2,1-3H3,(H,23,26)
InChIKeyZRKHSXNGUNNWFF-UHFFFAOYSA-N
XLogP4.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19290598
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide
CID 169414310
N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
CID 53138000
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine
CID 164607154
3-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 122560261
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
N-[2-(dimethylamino)ethyl]-3-[[(3-propan-2-yloxyphenyl)methylcarbamoylamino]methyl]benzamide
CID 86884508
3-[(2-bromophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290622
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide (CID 118785042) is 3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide is CCn1cc(-c2cccc(C(=O)NCc3cccc(OC(C)C)c3)c2)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is ZRKHSXNGUNNWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-25-15-20(14-24-25)18-8-6-9-19(12-18)22(26)23-13-17-7-5-10-21(11-17)27-16(2)3/h5-12,14-16H,4,13H2,1-3H3,(H,23,26).
What are the key properties of 3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide?
3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 118785042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).