methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate

C19H22N2O4 — CID 166296108

IUPACmethyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(COC(=O)C2CCCC2c2ccccc2)nn1C
InChIInChI=1S/C19H22N2O4/c1-21-17(19(23)24-2)11-14(20-21)12-25-18(22)16-10-6-9-15(16)13-7-4-3-5-8-13/h3-5,7-8,11,15-16H,6,9-10,12H2,1-2H3
InChIKeyFEAJKTWHHCTLEW-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.83
Rot. Bonds5

About methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate

methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate (PubChem CID 166296108) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate
PubChem CID166296108
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(COC(=O)C2CCCC2c2ccccc2)nn1C
InChIInChI=1S/C19H22N2O4/c1-21-17(19(23)24-2)11-14(20-21)12-25-18(22)16-10-6-9-15(16)13-7-4-3-5-8-13/h3-5,7-8,11,15-16H,6,9-10,12H2,1-2H3
InChIKeyFEAJKTWHHCTLEW-UHFFFAOYSA-N
XLogP2.83
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate (CID 166296108) is methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate is COC(=O)c1cc(COC(=O)C2CCCC2c2ccccc2)nn1C.
What is the InChIKey of methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate?
The InChIKey is FEAJKTWHHCTLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-21-17(19(23)24-2)11-14(20-21)12-25-18(22)16-10-6-9-15(16)13-7-4-3-5-8-13/h3-5,7-8,11,15-16H,6,9-10,12H2,1-2H3.
What are the key properties of methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate?
methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-[(2-phenylcyclopentanecarbonyl)oxymethyl]pyrazole-5-carboxylate is sourced from PubChem (CID 166296108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).