1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone

C23H25N3O — CID 168965076

IUPAC1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cn2ccc(-c3cccc(-c4ccccc4)c3)n2)CC1
InChIInChI=1S/C23H25N3O/c1-18(27)25-13-10-19(11-14-25)17-26-15-12-23(24-26)22-9-5-8-21(16-22)20-6-3-2-4-7-20/h2-9,12,15-16,19H,10-11,13-14,17H2,1H3
InChIKeyDCIIUIDCOKCKGV-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.48
Rot. Bonds4

About 1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 168965076) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID168965076
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cn2ccc(-c3cccc(-c4ccccc4)c3)n2)CC1
InChIInChI=1S/C23H25N3O/c1-18(27)25-13-10-19(11-14-25)17-26-15-12-23(24-26)22-9-5-8-21(16-22)20-6-3-2-4-7-20/h2-9,12,15-16,19H,10-11,13-14,17H2,1H3
InChIKeyDCIIUIDCOKCKGV-UHFFFAOYSA-N
XLogP4.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 169043353
4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine
CID 29029041
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
2-(1-acetylpiperidin-4-yl)-N-(4-phenyl-2-pyridinyl)acetamide
CID 58442951
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
CID 165142044
1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone
CID 168964990
4-[[2-[[4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-methylphenoxy]methyl]-3-methylphenyl]methyl]benzene-1,3-dicarboxylic acid
CID 174757627
1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone
CID 167981061
3-[5-[[(3R)-1-acetylpyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 124984055
[4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine
CID 58495574

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone (CID 168965076) is 1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cn2ccc(-c3cccc(-c4ccccc4)c3)n2)CC1.
What is the InChIKey of 1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is DCIIUIDCOKCKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18(27)25-13-10-19(11-14-25)17-26-15-12-23(24-26)22-9-5-8-21(16-22)20-6-3-2-4-7-20/h2-9,12,15-16,19H,10-11,13-14,17H2,1H3.
What are the key properties of 1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 168965076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).