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

C16H17Cl2N3 — CID 146291809

IUPAC(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine
SMILESNC/C=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21
InChIInChI=1S/C16H17Cl2N3/c17-14-5-4-13(15(18)8-14)10-21-16-11(6-7-19)2-1-3-12(16)9-20-21/h4-6,8-9H,1-3,7,10,19H2/b11-6+
InChIKeyGLNXQQCHXGGTMQ-IZZDOVSWSA-N
MW322.24 g/mol
LogP3.92
Rot. Bonds3

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

(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine (PubChem CID 146291809) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine.

Molecular Properties

Compound Name(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine
PubChem CID146291809
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine
SMILESNC/C=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21
InChIInChI=1S/C16H17Cl2N3/c17-14-5-4-13(15(18)8-14)10-21-16-11(6-7-19)2-1-3-12(16)9-20-21/h4-6,8-9H,1-3,7,10,19H2/b11-6+
InChIKeyGLNXQQCHXGGTMQ-IZZDOVSWSA-N
XLogP3.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
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]ethanamine?
The IUPAC name of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine (CID 146291809) is (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine.
What is the SMILES notation for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine?
The canonical SMILES for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine is NC/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]ethanamine?
The InChIKey is GLNXQQCHXGGTMQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c17-14-5-4-13(15(18)8-14)10-21-16-11(6-7-19)2-1-3-12(16)9-20-21/h4-6,8-9H,1-3,7,10,19H2/b11-6+.
What are the key properties of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine?
(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine has a molecular weight of 322.24 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 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]ethanamine is sourced from PubChem (CID 146291809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).