naphthalen-2-ylmethyl pyrazole-1-carboxylate

C15H12N2O2 — CID 118709020

IUPACnaphthalen-2-ylmethyl pyrazole-1-carboxylate
SMILESO=C(OCc1ccc2ccccc2c1)n1cccn1
InChIInChI=1S/C15H12N2O2/c18-15(17-9-3-8-16-17)19-11-12-6-7-13-4-1-2-5-14(13)10-12/h1-10H,11H2
InChIKeyHNYRKAFEUKESNV-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.22
Rot. Bonds2

About naphthalen-2-ylmethyl pyrazole-1-carboxylate

naphthalen-2-ylmethyl pyrazole-1-carboxylate (PubChem CID 118709020) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is naphthalen-2-ylmethyl pyrazole-1-carboxylate.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl pyrazole-1-carboxylate
PubChem CID118709020
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namenaphthalen-2-ylmethyl pyrazole-1-carboxylate
SMILESO=C(OCc1ccc2ccccc2c1)n1cccn1
InChIInChI=1S/C15H12N2O2/c18-15(17-9-3-8-16-17)19-11-12-6-7-13-4-1-2-5-14(13)10-12/h1-10H,11H2
InChIKeyHNYRKAFEUKESNV-UHFFFAOYSA-N
XLogP3.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze naphthalen-2-ylmethyl pyrazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethyl pyrazole-1-carboxylate?
The IUPAC name of naphthalen-2-ylmethyl pyrazole-1-carboxylate (CID 118709020) is naphthalen-2-ylmethyl pyrazole-1-carboxylate.
What is the SMILES notation for naphthalen-2-ylmethyl pyrazole-1-carboxylate?
The canonical SMILES for naphthalen-2-ylmethyl pyrazole-1-carboxylate is O=C(OCc1ccc2ccccc2c1)n1cccn1.
What is the InChIKey of naphthalen-2-ylmethyl pyrazole-1-carboxylate?
The InChIKey is HNYRKAFEUKESNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15(17-9-3-8-16-17)19-11-12-6-7-13-4-1-2-5-14(13)10-12/h1-10H,11H2.
What are the key properties of naphthalen-2-ylmethyl pyrazole-1-carboxylate?
naphthalen-2-ylmethyl pyrazole-1-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl pyrazole-1-carboxylate is sourced from PubChem (CID 118709020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).