(2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone

C20H20N2O4 — CID 42882744

IUPAC(2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone
SMILESCOc1cccc(-n2cc(C(=O)c3cc(OC(C)C)ccc3O)cn2)c1
InChIInChI=1S/C20H20N2O4/c1-13(2)26-17-7-8-19(23)18(10-17)20(24)14-11-21-22(12-14)15-5-4-6-16(9-15)25-3/h4-13,23H,1-3H3
InChIKeyWEPIAQCBLJABKW-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.60
Rot. Bonds6

About (2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone

(2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone (PubChem CID 42882744) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone
PubChem CID42882744
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone
SMILESCOc1cccc(-n2cc(C(=O)c3cc(OC(C)C)ccc3O)cn2)c1
InChIInChI=1S/C20H20N2O4/c1-13(2)26-17-7-8-19(23)18(10-17)20(24)14-11-21-22(12-14)15-5-4-6-16(9-15)25-3/h4-13,23H,1-3H3
InChIKeyWEPIAQCBLJABKW-UHFFFAOYSA-N
XLogP3.60
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid
CID 25494865
(2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 902212
6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 26480326
(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 139707986
(2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone
CID 116602543
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
CID 105489793
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
[1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 94812859
4-methoxy-2-(3-propan-2-yloxyphenyl)phenol
CID 104707355
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone?
The IUPAC name of (2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone (CID 42882744) is (2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for (2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone is COc1cccc(-n2cc(C(=O)c3cc(OC(C)C)ccc3O)cn2)c1.
What is the InChIKey of (2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone?
The InChIKey is WEPIAQCBLJABKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(2)26-17-7-8-19(23)18(10-17)20(24)14-11-21-22(12-14)15-5-4-6-16(9-15)25-3/h4-13,23H,1-3H3.
What are the key properties of (2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone?
(2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone has a molecular weight of 352.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 42882744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).