(4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate

C19H26N2O2 — CID 55426219

IUPAC(4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
SMILESCc1ccc(COC(=O)Cc2c(C)nn(CC(C)C)c2C)cc1
InChIInChI=1S/C19H26N2O2/c1-13(2)11-21-16(5)18(15(4)20-21)10-19(22)23-12-17-8-6-14(3)7-9-17/h6-9,13H,10-12H2,1-5H3
InChIKeyBKXVDVIOGWBBMO-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.75
Rot. Bonds6

About (4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate

(4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate (PubChem CID 55426219) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
PubChem CID55426219
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
SMILESCc1ccc(COC(=O)Cc2c(C)nn(CC(C)C)c2C)cc1
InChIInChI=1S/C19H26N2O2/c1-13(2)11-21-16(5)18(15(4)20-21)10-19(22)23-12-17-8-6-14(3)7-9-17/h6-9,13H,10-12H2,1-5H3
InChIKeyBKXVDVIOGWBBMO-UHFFFAOYSA-N
XLogP3.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
The IUPAC name of (4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate (CID 55426219) is (4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate.
What is the SMILES notation for (4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
The canonical SMILES for (4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate is Cc1ccc(COC(=O)Cc2c(C)nn(CC(C)C)c2C)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
The InChIKey is BKXVDVIOGWBBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)11-21-16(5)18(15(4)20-21)10-19(22)23-12-17-8-6-14(3)7-9-17/h6-9,13H,10-12H2,1-5H3.
What are the key properties of (4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
(4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate has a molecular weight of 314.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate is sourced from PubChem (CID 55426219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).