2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine

C24H27ClN6 — CID 18317448

IUPAC2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine
SMILESCc1nn(CCCc2ccccc2)c2c1/C(=N\N=C(N)N)CC(c1ccccc1Cl)C2
InChIInChI=1S/C24H27ClN6/c1-16-23-21(28-29-24(26)27)14-18(19-11-5-6-12-20(19)25)15-22(23)31(30-16)13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H4,26,27,29)/b28-21-
InChIKeyNZPFSDCVHGFGTN-HFTWOUSFSA-N
MW434.98 g/mol
LogP4.19
Rot. Bonds6

About 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine

2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine (PubChem CID 18317448) has the molecular formula C24H27ClN6 and a molecular weight of 434.98 g/mol. Its IUPAC name is 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine
PubChem CID18317448
Molecular FormulaC24H27ClN6
Molecular Weight434.98 g/mol
Exact Mass434.20
IUPAC Name2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine
SMILESCc1nn(CCCc2ccccc2)c2c1/C(=N\N=C(N)N)CC(c1ccccc1Cl)C2
InChIInChI=1S/C24H27ClN6/c1-16-23-21(28-29-24(26)27)14-18(19-11-5-6-12-20(19)25)15-22(23)31(30-16)13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H4,26,27,29)/b28-21-
InChIKeyNZPFSDCVHGFGTN-HFTWOUSFSA-N
XLogP4.19
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.98
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine (CID 18317448) is 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine is Cc1nn(CCCc2ccccc2)c2c1/C(=N\N=C(N)N)CC(c1ccccc1Cl)C2.
What is the InChIKey of 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine?
The InChIKey is NZPFSDCVHGFGTN-HFTWOUSFSA-N. The full InChI is InChI=1S/C24H27ClN6/c1-16-23-21(28-29-24(26)27)14-18(19-11-5-6-12-20(19)25)15-22(23)31(30-16)13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H4,26,27,29)/b28-21-.
What are the key properties of 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine?
2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine has a molecular weight of 434.98 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine is sourced from PubChem (CID 18317448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).