(4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone

C23H25N3O2 — CID 143664675

IUPAC(4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC2c2ccc(-c3cnn(C)c3)cc2)c(C)cc1O
InChIInChI=1S/C23H25N3O2/c1-15-12-22(27)16(2)11-20(15)23(28)26-10-4-5-21(26)18-8-6-17(7-9-18)19-13-24-25(3)14-19/h6-9,11-14,21,27H,4-5,10H2,1-3H3
InChIKeyJYHCYHOHOJVMOX-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.39
Rot. Bonds3

About (4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone

(4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone (PubChem CID 143664675) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone
PubChem CID143664675
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC2c2ccc(-c3cnn(C)c3)cc2)c(C)cc1O
InChIInChI=1S/C23H25N3O2/c1-15-12-22(27)16(2)11-20(15)23(28)26-10-4-5-21(26)18-8-6-17(7-9-18)19-13-24-25(3)14-19/h6-9,11-14,21,27H,4-5,10H2,1-3H3
InChIKeyJYHCYHOHOJVMOX-UHFFFAOYSA-N
XLogP4.39
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95309286
(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56825019
[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(2R)-2-phenylpiperidin-1-yl]methanone
CID 51855317
4-[1-(2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-N,N-dimethylbenzamide
CID 57440481
(3,5-dimethyl-2-pyridinyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136521822
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308670
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95309281
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139
(3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone
CID 118143965
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308695

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone (CID 143664675) is (4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC2c2ccc(-c3cnn(C)c3)cc2)c(C)cc1O.
What is the InChIKey of (4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone?
The InChIKey is JYHCYHOHOJVMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-12-22(27)16(2)11-20(15)23(28)26-10-4-5-21(26)18-8-6-17(7-9-18)19-13-24-25(3)14-19/h6-9,11-14,21,27H,4-5,10H2,1-3H3.
What are the key properties of (4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone?
(4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,5-dimethylphenyl)-[2-[4-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 143664675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).