methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate

C15H18N2O3 — CID 75422749

IUPACmethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(Cn2nc(C)cc2C)c(OC)c1
InChIInChI=1S/C15H18N2O3/c1-10-7-11(2)17(16-10)9-13-6-5-12(15(18)20-4)8-14(13)19-3/h5-8H,9H2,1-4H3
InChIKeyQUPSZFVOXYWREF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.34
Rot. Bonds4

About methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate

methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate (PubChem CID 75422749) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate
PubChem CID75422749
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(Cn2nc(C)cc2C)c(OC)c1
InChIInChI=1S/C15H18N2O3/c1-10-7-11(2)17(16-10)9-13-6-5-12(15(18)20-4)8-14(13)19-3/h5-8H,9H2,1-4H3
InChIKeyQUPSZFVOXYWREF-UHFFFAOYSA-N
XLogP2.34
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Fenpyroximate
CID 9576412
Fenpyroximate, (Z)-
CID 6002001
Benzoic acid, 4-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methyleneaminooxymethyl-, 1,1-dimethylethyl ester
CID 107760
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
1-(2-ethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 898261
methyl 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzenecarboxylate
CID 1485771
4-Fluoro-3-(3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propoxy)benzoic acid
CID 139507742
5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzoic acid
CID 2798292
(2E)-2-({3-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-4-methoxyphenyl}methylidene)-1,2,3,4-tetrahydronaphthalen-1-one
CID 9551495
(3E)-3-({3-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-4-methoxyphenyl}methylidene)-[1,1'-BI(cyclopentane)]-2-one
CID 12004993
Ethyl 4-[1-[(3-methoxyphenyl)methyl]indazol-3-yl]benzoate
CID 44451651
Ethyl 4-[1-[(2-methoxyphenyl)methyl]indazol-3-yl]benzoate
CID 44451655

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate?
The IUPAC name of methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate (CID 75422749) is methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate is COC(=O)c1ccc(Cn2nc(C)cc2C)c(OC)c1.
What is the InChIKey of methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate?
The InChIKey is QUPSZFVOXYWREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-7-11(2)17(16-10)9-13-6-5-12(15(18)20-4)8-14(13)19-3/h5-8H,9H2,1-4H3.
What are the key properties of methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate?
methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate has a molecular weight of 274.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methoxybenzoate is sourced from PubChem (CID 75422749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).