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

C19H25N3O3 — CID 56795377

IUPAC[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2O)CC1
InChIInChI=1S/C19H25N3O3/c1-13(2)14-4-6-15(7-5-14)22-12-17(23)18(20-22)19(24)21-10-8-16(25-3)9-11-21/h4-7,12-13,16,23H,8-11H2,1-3H3
InChIKeyJUUWOJMCRWJTTB-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.95
Rot. Bonds4

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

[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 56795377) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID56795377
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2O)CC1
InChIInChI=1S/C19H25N3O3/c1-13(2)14-4-6-15(7-5-14)22-12-17(23)18(20-22)19(24)21-10-8-16(25-3)9-11-21/h4-7,12-13,16,23H,8-11H2,1-3H3
InChIKeyJUUWOJMCRWJTTB-UHFFFAOYSA-N
XLogP2.95
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone (CID 56795377) is [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2O)CC1.
What is the InChIKey of [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is JUUWOJMCRWJTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)14-4-6-15(7-5-14)22-12-17(23)18(20-22)19(24)21-10-8-16(25-3)9-11-21/h4-7,12-13,16,23H,8-11H2,1-3H3.
What are the key properties of [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone?
[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 56795377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).