methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate

C17H16N2O2 — CID 170722121

IUPACmethyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate
SMILESCOC(=O)c1ccc(C2=NNC(c3ccccc3)C2)cc1
InChIInChI=1S/C17H16N2O2/c1-21-17(20)14-9-7-13(8-10-14)16-11-15(18-19-16)12-5-3-2-4-6-12/h2-10,15,18H,11H2,1H3
InChIKeyOSNLIDHXGWTNCO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.91
Rot. Bonds3

About methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate

methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate (PubChem CID 170722121) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate
PubChem CID170722121
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate
SMILESCOC(=O)c1ccc(C2=NNC(c3ccccc3)C2)cc1
InChIInChI=1S/C17H16N2O2/c1-21-17(20)14-9-7-13(8-10-14)16-11-15(18-19-16)12-5-3-2-4-6-12/h2-10,15,18H,11H2,1H3
InChIKeyOSNLIDHXGWTNCO-UHFFFAOYSA-N
XLogP2.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]acetamide
CID 53298016
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole
CID 3415879
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634
methyl 4-[(2R)-5-oxopyrrolidin-2-yl]benzoate
CID 164666440
methyl 4-(4,4-dimethyl-5-phenylpyrazol-3-yl)benzoate
CID 10780981
methyl 2-phenylazulene-6-carboxylate
CID 23257786
CID 157228504
CID 157228504
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl benzoate;hydrate
CID 141218240
4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 71493357
(5R)-3,5-bis(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
CID 100816860

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate?
The IUPAC name of methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate (CID 170722121) is methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate.
What is the SMILES notation for methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate?
The canonical SMILES for methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate is COC(=O)c1ccc(C2=NNC(c3ccccc3)C2)cc1.
What is the InChIKey of methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate?
The InChIKey is OSNLIDHXGWTNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-17(20)14-9-7-13(8-10-14)16-11-15(18-19-16)12-5-3-2-4-6-12/h2-10,15,18H,11H2,1H3.
What are the key properties of methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate?
methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate has a molecular weight of 280.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate is sourced from PubChem (CID 170722121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).