(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine

C18H21Cl2N3 — CID 146293880

IUPAC(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine
SMILESCN(C)C/C=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21
InChIInChI=1S/C18H21Cl2N3/c1-22(2)9-8-13-4-3-5-14-11-21-23(18(13)14)12-15-6-7-16(19)10-17(15)20/h6-8,10-11H,3-5,9,12H2,1-2H3/b13-8+
InChIKeyMKZNFTGFZJIEQM-MDWZMJQESA-N
MW350.29 g/mol
LogP4.52
Rot. Bonds4

About (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine

(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine (PubChem CID 146293880) has the molecular formula C18H21Cl2N3 and a molecular weight of 350.29 g/mol. Its IUPAC name is (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine
PubChem CID146293880
Molecular FormulaC18H21Cl2N3
Molecular Weight350.29 g/mol
Exact Mass349.11
IUPAC Name(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine
SMILESCN(C)C/C=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21
InChIInChI=1S/C18H21Cl2N3/c1-22(2)9-8-13-4-3-5-14-11-21-23(18(13)14)12-15-6-7-16(19)10-17(15)20/h6-8,10-11H,3-5,9,12H2,1-2H3/b13-8+
InChIKeyMKZNFTGFZJIEQM-MDWZMJQESA-N
XLogP4.52
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine?
The IUPAC name of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine (CID 146293880) is (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine.
What is the SMILES notation for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine?
The canonical SMILES for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine is CN(C)C/C=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21.
What is the InChIKey of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine?
The InChIKey is MKZNFTGFZJIEQM-MDWZMJQESA-N. The full InChI is InChI=1S/C18H21Cl2N3/c1-22(2)9-8-13-4-3-5-14-11-21-23(18(13)14)12-15-6-7-16(19)10-17(15)20/h6-8,10-11H,3-5,9,12H2,1-2H3/b13-8+.
What are the key properties of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine?
(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine has a molecular weight of 350.29 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine is sourced from PubChem (CID 146293880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).