methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate

C15H12N2O2 — CID 2771808

IUPACmethyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C15H12N2O2/c1-19-15(18)14-9-13(16-17-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,16,17)
InChIKeyYMLFDDSDTZENHS-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.02
Rot. Bonds2

About methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate

methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate (PubChem CID 2771808) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate
PubChem CID2771808
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namemethyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C15H12N2O2/c1-19-15(18)14-9-13(16-17-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,16,17)
InChIKeyYMLFDDSDTZENHS-UHFFFAOYSA-N
XLogP3.02
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate (CID 2771808) is methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate is COC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1.
What is the InChIKey of methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate?
The InChIKey is YMLFDDSDTZENHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-15(18)14-9-13(16-17-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,16,17).
What are the key properties of methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate?
methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-naphthalen-2-yl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 2771808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).