methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate

C18H14Cl2N2O2 — CID 76717745

IUPACmethyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate
SMILESCOC(=O)C=Cc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C18H14Cl2N2O2/c1-24-18(23)9-8-16-14-4-2-3-5-17(14)22(21-16)11-12-6-7-13(19)10-15(12)20/h2-10H,11H2,1H3
InChIKeyKZMWCCPUVJCFJV-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.58
Rot. Bonds4

About methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate

methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate (PubChem CID 76717745) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate
PubChem CID76717745
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Namemethyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate
SMILESCOC(=O)C=Cc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C18H14Cl2N2O2/c1-24-18(23)9-8-16-14-4-2-3-5-17(14)22(21-16)11-12-6-7-13(19)10-15(12)20/h2-10H,11H2,1H3
InChIKeyKZMWCCPUVJCFJV-UHFFFAOYSA-N
XLogP4.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-[1-[(2,4-dichlorophenyl)methyl]-6-methylindazol-3-yl]prop-2-enoate
CID 58182915
methyl (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazol-3-yl]prop-2-enoate
CID 11661519
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazol-3-yl]prop-2-enoic acid
CID 11682309
methyl 3-[1-[(4-chloro-2-fluorophenyl)methyl]-6-(fluoromethyl)indazol-3-yl]prop-2-enoate
CID 66888907
1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-3-oxoprop-1-enyl)indazole-6-carboxylic acid
CID 68912255
1-[(2-chloro-4-fluorophenyl)methyl]-3-[(E)-3-methoxy-3-oxoprop-1-enyl]indazole-6-carboxylic acid
CID 68912253
1-[(2,4-dichlorophenyl)methyl]indazole-3-carbaldehyde;[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]methanol;methane
CID 159406876
1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylic acid;ethyl (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-methylindazol-3-yl]prop-2-enoate
CID 161435268
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
2-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
CID 67610724
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide
CID 68914103
3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-enoyloxymethyl 2,2-dimethylpropanoate
CID 69403241

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate?
The IUPAC name of methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate (CID 76717745) is methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate.
What is the SMILES notation for methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate?
The canonical SMILES for methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate is COC(=O)C=Cc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate?
The InChIKey is KZMWCCPUVJCFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-24-18(23)9-8-16-14-4-2-3-5-17(14)22(21-16)11-12-6-7-13(19)10-15(12)20/h2-10H,11H2,1H3.
What are the key properties of methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate?
methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate has a molecular weight of 361.23 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate is sourced from PubChem (CID 76717745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).