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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Related Compounds

9-(4,5-diphenylpyrazol-1-yl)nonanoic acid
CID 10452166
3-(4,5-diphenylpyrazol-1-yl)-N,N-diethylpropan-1-amine
CID 13409580
methyl 11-(3,4,5-triphenylpyrazol-1-yl)undecanoate;hydrate
CID 19982292
2-(4,5-diphenylpyrazol-1-yl)-N-[3-(ethylamino)propyl]acetamide
CID 14699563
N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane
CID 91106289
methyl 3-[2-(chloromethyl)-4-oxoquinazolin-3-yl]propanoate
CID 61295376
(1-benzyl-5-phenylpyrazol-4-yl) butanoate
CID 174429737
methyl 3-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)propanoate
CID 67578158
methyl 3-[1-(3-methoxy-3-oxopropyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoate
CID 102282878
methyl 5-[4,5-diphenyl-1-(2-phenylethyl)pyrrol-2-yl]pentanoate
CID 102098915
1-(3-methoxy-3-oxopropyl)-4-(4-phenyl-N-sulfinoanilino)-4,5,6,7-tetrahydroindazole
CID 66782900
tert-butyl N-[2-[5-(hydroxymethyl)-4-phenylpyrazol-1-yl]ethyl]carbamate
CID 134499343

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).