1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one

C24H27N3O — CID 46295896

IUPAC1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one
SMILESO=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCCC1
InChIInChI=1S/C24H27N3O/c28-23(26-17-9-1-2-10-18-26)16-15-21-19-27(22-13-7-4-8-14-22)25-24(21)20-11-5-3-6-12-20/h3-8,11-14,19H,1-2,9-10,15-18H2
InChIKeySLONMLAAJUDEPY-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.87
Rot. Bonds5

About 1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one

1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one (PubChem CID 46295896) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one
PubChem CID46295896
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one
SMILESO=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCCC1
InChIInChI=1S/C24H27N3O/c28-23(26-17-9-1-2-10-18-26)16-15-21-19-27(22-13-7-4-8-14-22)25-24(21)20-11-5-3-6-12-20/h3-8,11-14,19H,1-2,9-10,15-18H2
InChIKeySLONMLAAJUDEPY-UHFFFAOYSA-N
XLogP4.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 46295921
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one
CID 53033057
3-[(1,3-diphenylpyrazol-4-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
CID 47035188
3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71839862
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46295814
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46377856
3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53033076
2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 56543664
3-[3-(3-aminophenyl)-1-phenylpyrazol-4-yl]propanoate
CID 2377175
1-(3-hydroxypiperidin-1-yl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]ethanone
CID 78824612
1-(cyclopropanecarbonyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 27864196

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one (CID 46295896) is 1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one is O=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one?
The InChIKey is SLONMLAAJUDEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c28-23(26-17-9-1-2-10-18-26)16-15-21-19-27(22-13-7-4-8-14-22)25-24(21)20-11-5-3-6-12-20/h3-8,11-14,19H,1-2,9-10,15-18H2.
What are the key properties of 1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one?
1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one has a molecular weight of 373.50 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 46295896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).