methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate

C20H18N2O3 — CID 11099694

IUPACmethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
SMILESCOC(=O)n1nc(/C=C/c2ccccc2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C20H18N2O3/c1-24-18-12-9-16(10-13-18)19-14-17(21-22(19)20(23)25-2)11-8-15-6-4-3-5-7-15/h3-14H,1-2H3/b11-8+
InChIKeyDNAUPBIFLVQHGY-DHZHZOJOSA-N
MW334.38 g/mol
LogP4.34
Rot. Bonds4

About methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate

methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate (PubChem CID 11099694) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
PubChem CID11099694
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namemethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
SMILESCOC(=O)n1nc(/C=C/c2ccccc2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C20H18N2O3/c1-24-18-12-9-16(10-13-18)19-14-17(21-22(19)20(23)25-2)11-8-15-6-4-3-5-7-15/h3-14H,1-2H3/b11-8+
InChIKeyDNAUPBIFLVQHGY-DHZHZOJOSA-N
XLogP4.34
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
CID 10970105
5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole
CID 11057297
4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline
CID 57080412
methyl 3-amino-5-phenylpyrazole-1-carboxylate
CID 110868199
2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine
CID 135025720
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole-9-sulfinic acid
CID 89094035
(E)-3-(4-methoxyphenyl)-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)prop-2-enamide
CID 1387022
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 136608073
(E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one
CID 101143613

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate?
The IUPAC name of methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate (CID 11099694) is methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate?
The canonical SMILES for methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate is COC(=O)n1nc(/C=C/c2ccccc2)cc1-c1ccc(OC)cc1.
What is the InChIKey of methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate?
The InChIKey is DNAUPBIFLVQHGY-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-18-12-9-16(10-13-18)19-14-17(21-22(19)20(23)25-2)11-8-15-6-4-3-5-7-15/h3-14H,1-2H3/b11-8+.
What are the key properties of methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate?
methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate is sourced from PubChem (CID 11099694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).