1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine

C20H19Cl2N3 — CID 89129673

IUPAC1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine
SMILESC/C=C\N=C(/C)Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C
InChIInChI=1S/C20H19Cl2N3/c1-4-10-23-13(2)11-19-17-7-5-6-16(20(17)24-25(19)3)15-9-8-14(21)12-18(15)22/h4-10,12H,11H2,1-3H3/b10-4-,23-13+
InChIKeyGRVUBNXANBNORC-JWRMVYMRSA-N
MW372.30 g/mol
LogP6.08
Rot. Bonds4

About 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine

1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine (PubChem CID 89129673) has the molecular formula C20H19Cl2N3 and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine.

Molecular Properties

Compound Name1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine
PubChem CID89129673
Molecular FormulaC20H19Cl2N3
Molecular Weight372.30 g/mol
Exact Mass371.10
IUPAC Name1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine
SMILESC/C=C\N=C(/C)Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C
InChIInChI=1S/C20H19Cl2N3/c1-4-10-23-13(2)11-19-17-7-5-6-16(20(17)24-25(19)3)15-9-8-14(21)12-18(15)22/h4-10,12H,11H2,1-3H3/b10-4-,23-13+
InChIKeyGRVUBNXANBNORC-JWRMVYMRSA-N
XLogP6.08
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine?
The IUPAC name of 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine (CID 89129673) is 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine.
What is the SMILES notation for 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine?
The canonical SMILES for 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine is C/C=C\N=C(/C)Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C.
What is the InChIKey of 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine?
The InChIKey is GRVUBNXANBNORC-JWRMVYMRSA-N. The full InChI is InChI=1S/C20H19Cl2N3/c1-4-10-23-13(2)11-19-17-7-5-6-16(20(17)24-25(19)3)15-9-8-14(21)12-18(15)22/h4-10,12H,11H2,1-3H3/b10-4-,23-13+.
What are the key properties of 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine?
1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine has a molecular weight of 372.30 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine is sourced from PubChem (CID 89129673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).