(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C23H25N3O — CID 70788820

IUPAC(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C23H25N3O/c27-23(22-10-5-4-9-21(22)20-7-2-1-3-8-20)25-16-11-19(12-17-25)13-18-26-15-6-14-24-26/h1-10,14-15,19H,11-13,16-18H2
InChIKeyGLTULZIWAMQMQB-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.49
Rot. Bonds5

About (2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 70788820) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID70788820
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C23H25N3O/c27-23(22-10-5-4-9-21(22)20-7-2-1-3-8-20)25-16-11-19(12-17-25)13-18-26-15-6-14-24-26/h1-10,14-15,19H,11-13,16-18H2
InChIKeyGLTULZIWAMQMQB-UHFFFAOYSA-N
XLogP4.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72872499
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70780162
[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70755983
(2-bromophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494885
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 111429801
1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
CID 46633048
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130
[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97193044
(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70758865
(2-methylsulfanylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494929
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 70779716
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97110758

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 70788820) is (2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is O=C(c1ccccc1-c1ccccc1)N1CCC(CCn2cccn2)CC1.
What is the InChIKey of (2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is GLTULZIWAMQMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(22-10-5-4-9-21(22)20-7-2-1-3-8-20)25-16-11-19(12-17-25)13-18-26-15-6-14-24-26/h1-10,14-15,19H,11-13,16-18H2.
What are the key properties of (2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70788820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).