methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate

C14H16ClN3O3 — CID 107198187

IUPACmethyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate
SMILESCCCn1cc(Oc2c(Cl)cc(N)cc2C(=O)OC)cn1
InChIInChI=1S/C14H16ClN3O3/c1-3-4-18-8-10(7-17-18)21-13-11(14(19)20-2)5-9(16)6-12(13)15/h5-8H,3-4,16H2,1-2H3
InChIKeyZTHUEKVAUHILDX-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.11
Rot. Bonds5

About methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate

methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate (PubChem CID 107198187) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate
PubChem CID107198187
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Namemethyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate
SMILESCCCn1cc(Oc2c(Cl)cc(N)cc2C(=O)OC)cn1
InChIInChI=1S/C14H16ClN3O3/c1-3-4-18-8-10(7-17-18)21-13-11(14(19)20-2)5-9(16)6-12(13)15/h5-8H,3-4,16H2,1-2H3
InChIKeyZTHUEKVAUHILDX-UHFFFAOYSA-N
XLogP3.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-2-(1-propylpyrazol-4-yl)oxybenzoate
CID 116802581
methyl 5-amino-3-chloro-2-(4-ethylphenoxy)benzoate
CID 107197223
methyl 5-amino-3-chloro-2-[4-(hydroxymethyl)phenoxy]benzoate
CID 107197740
methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate
CID 107197176
2-chloro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116803992
methyl 5-amino-3-chloro-2-pentoxybenzoate
CID 107197652
3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 106891061
3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline
CID 116800410
4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800467
methyl 5-amino-2-(3-bromo-4-fluorophenoxy)-3-chlorobenzoate
CID 107198122
methyl 5-amino-3-chloro-2-(2-ethoxyethoxy)benzoate
CID 107197296
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate?
The IUPAC name of methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate (CID 107198187) is methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate.
What is the SMILES notation for methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate?
The canonical SMILES for methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate is CCCn1cc(Oc2c(Cl)cc(N)cc2C(=O)OC)cn1.
What is the InChIKey of methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate?
The InChIKey is ZTHUEKVAUHILDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-3-4-18-8-10(7-17-18)21-13-11(14(19)20-2)5-9(16)6-12(13)15/h5-8H,3-4,16H2,1-2H3.
What are the key properties of methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate?
methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate has a molecular weight of 309.75 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate is sourced from PubChem (CID 107198187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).