methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate

C19H18N2O2 — CID 14723696

IUPACmethyl 3-(4,5-diphenylpyrazol-1-yl)propanoate
SMILESCOC(=O)CCn1ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-23-18(22)12-13-21-19(16-10-6-3-7-11-16)17(14-20-21)15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeyCYMOVQGKVWWGFN-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.78
Rot. Bonds5

About methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate

methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate (PubChem CID 14723696) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,5-diphenylpyrazol-1-yl)propanoate
PubChem CID14723696
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Namemethyl 3-(4,5-diphenylpyrazol-1-yl)propanoate
SMILESCOC(=O)CCn1ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-23-18(22)12-13-21-19(16-10-6-3-7-11-16)17(14-20-21)15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeyCYMOVQGKVWWGFN-UHFFFAOYSA-N
XLogP3.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate?
The IUPAC name of methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate (CID 14723696) is methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate?
The canonical SMILES for methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate is COC(=O)CCn1ncc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate?
The InChIKey is CYMOVQGKVWWGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-18(22)12-13-21-19(16-10-6-3-7-11-16)17(14-20-21)15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3.
What are the key properties of methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate?
methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate has a molecular weight of 306.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate is sourced from PubChem (CID 14723696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).