(4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C24H23N5O — CID 70772628

IUPAC(4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1
InChIInChI=1S/C24H23N5O/c30-24(20-6-8-21(9-7-20)29-15-12-25-17-29)28-13-10-19(11-14-28)23-22(16-26-27-23)18-4-2-1-3-5-18/h1-9,12,15-17,19H,10-11,13-14H2,(H,26,27)
InChIKeyZROPNHYMCAAYIN-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.28
Rot. Bonds4

About (4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 70772628) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID70772628
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name(4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1
InChIInChI=1S/C24H23N5O/c30-24(20-6-8-21(9-7-20)29-15-12-25-17-29)28-13-10-19(11-14-28)23-22(16-26-27-23)18-4-2-1-3-5-18/h1-9,12,15-17,19H,10-11,13-14H2,(H,26,27)
InChIKeyZROPNHYMCAAYIN-UHFFFAOYSA-N
XLogP4.28
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 70772628) is (4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccc(-n2ccnc2)cc1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZROPNHYMCAAYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(20-6-8-21(9-7-20)29-15-12-25-17-29)28-13-10-19(11-14-28)23-22(16-26-27-23)18-4-2-1-3-5-18/h1-9,12,15-17,19H,10-11,13-14H2,(H,26,27).
What are the key properties of (4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70772628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).