methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate

C22H22N2O4 — CID 134587090

IUPACmethyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(OC)c2)n(Cc2ccccc2OC2CC2)n1
InChIInChI=1S/C22H22N2O4/c1-26-18-8-5-7-15(12-18)20-13-19(22(25)27-2)23-24(20)14-16-6-3-4-9-21(16)28-17-10-11-17/h3-9,12-13,17H,10-11,14H2,1-2H3
InChIKeyGYTXVASRGRCGOX-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.93
Rot. Bonds7

About methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate

methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate (PubChem CID 134587090) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate
PubChem CID134587090
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Namemethyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(OC)c2)n(Cc2ccccc2OC2CC2)n1
InChIInChI=1S/C22H22N2O4/c1-26-18-8-5-7-15(12-18)20-13-19(22(25)27-2)23-24(20)14-16-6-3-4-9-21(16)28-17-10-11-17/h3-9,12-13,17H,10-11,14H2,1-2H3
InChIKeyGYTXVASRGRCGOX-UHFFFAOYSA-N
XLogP3.93
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate
CID 140877303
methyl 5-(3-cyclopropyloxyphenyl)-1-(2-nitrophenyl)pyrazole-3-carboxylate
CID 154024646
N-cyclohexyl-1-ethyl-5-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 46171136
methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate
CID 154024643
methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 19585888
methyl 1-[[4-(dimethylamino)phenyl]methyl]-5-[3-(2-methylpropoxy)phenyl]pyrazole-3-carboxylate
CID 134587008
methyl 5-[(3-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475692
ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877149
methyl 1-benzyl-5-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
CID 145427559
5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid
CID 90279973
(E)-4-[1-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]-2,2-dimethylbut-3-enoic acid
CID 134587020
2-[[1-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]butanoic acid
CID 134587099

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate (CID 134587090) is methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate is COC(=O)c1cc(-c2cccc(OC)c2)n(Cc2ccccc2OC2CC2)n1.
What is the InChIKey of methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate?
The InChIKey is GYTXVASRGRCGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-18-8-5-7-15(12-18)20-13-19(22(25)27-2)23-24(20)14-16-6-3-4-9-21(16)28-17-10-11-17/h3-9,12-13,17H,10-11,14H2,1-2H3.
What are the key properties of methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate?
methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 134587090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).