[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

C23H26N4O2 — CID 71873867

IUPAC[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)c1cccc(-n2cc(O)c(C(=O)N3CCN(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-17(2)18-7-6-10-20(15-18)27-16-21(28)22(24-27)23(29)26-13-11-25(12-14-26)19-8-4-3-5-9-19/h3-10,15-17,28H,11-14H2,1-2H3
InChIKeyVYDWSCQNLXNXTF-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.66
Rot. Bonds4

About [4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 71873867) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID71873867
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)c1cccc(-n2cc(O)c(C(=O)N3CCN(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-17(2)18-7-6-10-20(15-18)27-16-21(28)22(24-27)23(29)26-13-11-25(12-14-26)19-8-4-3-5-9-19/h3-10,15-17,28H,11-14H2,1-2H3
InChIKeyVYDWSCQNLXNXTF-UHFFFAOYSA-N
XLogP3.66
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]acetonitrile
CID 99801884
7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 75393960
[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methanone
CID 99818284
N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 99818301
(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542663
(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576249
(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone
CID 126788191
[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 155951192
(2-hydroxy-4-propan-2-ylphenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55851808
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 71830649
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 71873867) is [4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is CC(C)c1cccc(-n2cc(O)c(C(=O)N3CCN(c4ccccc4)CC3)n2)c1.
What is the InChIKey of [4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is VYDWSCQNLXNXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17(2)18-7-6-10-20(15-18)27-16-21(28)22(24-27)23(29)26-13-11-25(12-14-26)19-8-4-3-5-9-19/h3-10,15-17,28H,11-14H2,1-2H3.
What are the key properties of [4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 390.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 71873867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).