[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate

C16H18F2N2O4 — CID 60554501

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate
SMILESCOc1cc(COC(=O)CCn2cc(C)cn2)ccc1OC(F)F
InChIInChI=1S/C16H18F2N2O4/c1-11-8-19-20(9-11)6-5-15(21)23-10-12-3-4-13(24-16(17)18)14(7-12)22-2/h3-4,7-9,16H,5-6,10H2,1-2H3
InChIKeyXMCARXXBNWFMMZ-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.94
Rot. Bonds8

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate

[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate (PubChem CID 60554501) has the molecular formula C16H18F2N2O4 and a molecular weight of 340.33 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate
PubChem CID60554501
Molecular FormulaC16H18F2N2O4
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate
SMILESCOc1cc(COC(=O)CCn2cc(C)cn2)ccc1OC(F)F
InChIInChI=1S/C16H18F2N2O4/c1-11-8-19-20(9-11)6-5-15(21)23-10-12-3-4-13(24-16(17)18)14(7-12)22-2/h3-4,7-9,16H,5-6,10H2,1-2H3
InChIKeyXMCARXXBNWFMMZ-UHFFFAOYSA-N
XLogP2.94
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate with MolForge

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Related Compounds

[4-(difluoromethoxy)-3-methoxyphenyl]methyl butanoate
CID 78805538
(3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate
CID 60562435
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 30760216
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 86826541
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 30785695
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 27039259
N-(5-amino-2-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874213
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55702146
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 43040385
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580674
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate
CID 24602070

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate (CID 60554501) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate is COc1cc(COC(=O)CCn2cc(C)cn2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate?
The InChIKey is XMCARXXBNWFMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4/c1-11-8-19-20(9-11)6-5-15(21)23-10-12-3-4-13(24-16(17)18)14(7-12)22-2/h3-4,7-9,16H,5-6,10H2,1-2H3.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate has a molecular weight of 340.33 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate is sourced from PubChem (CID 60554501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).