2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate

C15H18N2O3 — CID 75441351

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCCc1c(C)n[nH]c1C
InChIInChI=1S/C15H18N2O3/c1-10-12(11(2)17-16-10)8-9-20-15(18)13-6-4-5-7-14(13)19-3/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyFUXYVERUDLRIDI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.43
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate

2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate (PubChem CID 75441351) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate
PubChem CID75441351
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCCc1c(C)n[nH]c1C
InChIInChI=1S/C15H18N2O3/c1-10-12(11(2)17-16-10)8-9-20-15(18)13-6-4-5-7-14(13)19-3/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyFUXYVERUDLRIDI-UHFFFAOYSA-N
XLogP2.43
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 3-bromo-2-fluorobenzoate
CID 99833477
4-[4-(2-methoxyphenoxy)butyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 163332795
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate
CID 139804906
[3-(2-methoxybenzoyl)oxy-2,2-bis[(2-methoxybenzoyl)oxymethyl]propyl] 2-methoxybenzoate
CID 54498561
3-(2-methoxybenzoyl)oxypropyl-dimethylazanium chloride
CID 44655251
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 110685626
2-oxoethyl 2-methoxybenzoate
CID 87871956
4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 11948795
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 171321207
2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717101
2-(3-bromophenoxy)ethyl 2-methoxybenzoate
CID 55318537

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate (CID 75441351) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate is COc1ccccc1C(=O)OCCc1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate?
The InChIKey is FUXYVERUDLRIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-12(11(2)17-16-10)8-9-20-15(18)13-6-4-5-7-14(13)19-3/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate?
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate has a molecular weight of 274.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate is sourced from PubChem (CID 75441351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).