(3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone

C20H18N2O5 — CID 2116208

IUPAC(3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone
SMILESCOc1ccc(C(=O)n2cc(C(=O)c3cc(C)ccc3O)cn2)cc1OC
InChIInChI=1S/C20H18N2O5/c1-12-4-6-16(23)15(8-12)19(24)14-10-21-22(11-14)20(25)13-5-7-17(26-2)18(9-13)27-3/h4-11,23H,1-3H3
InChIKeyMPMQKZNBYNBNSF-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.83
Rot. Bonds5

About (3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone (PubChem CID 2116208) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone
PubChem CID2116208
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone
SMILESCOc1ccc(C(=O)n2cc(C(=O)c3cc(C)ccc3O)cn2)cc1OC
InChIInChI=1S/C20H18N2O5/c1-12-4-6-16(23)15(8-12)19(24)14-10-21-22(11-14)20(25)13-5-7-17(26-2)18(9-13)27-3/h4-11,23H,1-3H3
InChIKeyMPMQKZNBYNBNSF-UHFFFAOYSA-N
XLogP2.83
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone (CID 2116208) is (3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone is COc1ccc(C(=O)n2cc(C(=O)c3cc(C)ccc3O)cn2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone?
The InChIKey is MPMQKZNBYNBNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-4-6-16(23)15(8-12)19(24)14-10-21-22(11-14)20(25)13-5-7-17(26-2)18(9-13)27-3/h4-11,23H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone has a molecular weight of 366.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 2116208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).