methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate

C19H17N3O4 — CID 154774881

IUPACmethyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)Nc2ccccc2-n2cccn2)c1
InChIInChI=1S/C19H17N3O4/c1-25-18(23)13-26-15-7-4-6-14(12-15)19(24)21-16-8-2-3-9-17(16)22-11-5-10-20-22/h2-12H,13H2,1H3,(H,21,24)
InChIKeyZPJHHKDRWHUIHW-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.68
Rot. Bonds6

About methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate

methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate (PubChem CID 154774881) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate
PubChem CID154774881
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Namemethyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)Nc2ccccc2-n2cccn2)c1
InChIInChI=1S/C19H17N3O4/c1-25-18(23)13-26-15-7-4-6-14(12-15)19(24)21-16-8-2-3-9-17(16)22-11-5-10-20-22/h2-12H,13H2,1H3,(H,21,24)
InChIKeyZPJHHKDRWHUIHW-UHFFFAOYSA-N
XLogP2.68
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
2-(4-methylpiperazin-1-yl)-N-(2-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 126768033
methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate
CID 55870485
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
methyl 2-[3-[[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]carbamoyl]phenoxy]acetate
CID 55875529
2-(2-methoxyethylamino)-N-(2-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119400016
methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate
CID 55875358
2-(3-fluoro-4-nitrophenoxy)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 47085121
6-chloro-N-(2-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
CID 61041740

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate (CID 154774881) is methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate is COC(=O)COc1cccc(C(=O)Nc2ccccc2-n2cccn2)c1.
What is the InChIKey of methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate?
The InChIKey is ZPJHHKDRWHUIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-25-18(23)13-26-15-7-4-6-14(12-15)19(24)21-16-8-2-3-9-17(16)22-11-5-10-20-22/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate?
methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate has a molecular weight of 351.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate is sourced from PubChem (CID 154774881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).