naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate

C16H14N2O2 — CID 118709021

IUPACnaphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate
SMILESCc1cnn(C(=O)OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H14N2O2/c1-12-9-17-18(10-12)16(19)20-11-13-6-7-14-4-2-3-5-15(14)8-13/h2-10H,11H2,1H3
InChIKeyJLNDBCHFOYXDQD-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.53
Rot. Bonds2

About naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate

naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate (PubChem CID 118709021) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate
PubChem CID118709021
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namenaphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate
SMILESCc1cnn(C(=O)OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H14N2O2/c1-12-9-17-18(10-12)16(19)20-11-13-6-7-14-4-2-3-5-15(14)8-13/h2-10H,11H2,1H3
InChIKeyJLNDBCHFOYXDQD-UHFFFAOYSA-N
XLogP3.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate?
The IUPAC name of naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate (CID 118709021) is naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate.
What is the SMILES notation for naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate?
The canonical SMILES for naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate is Cc1cnn(C(=O)OCc2ccc3ccccc3c2)c1.
What is the InChIKey of naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate?
The InChIKey is JLNDBCHFOYXDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-9-17-18(10-12)16(19)20-11-13-6-7-14-4-2-3-5-15(14)8-13/h2-10H,11H2,1H3.
What are the key properties of naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate?
naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl 4-methylpyrazole-1-carboxylate is sourced from PubChem (CID 118709021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).