4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide

C25H26N6O — CID 122323625

IUPAC4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
SMILESCc1nn(-c2ccc(NCCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)c(C)c1C
InChIInChI=1S/C25H26N6O/c1-17-18(2)30-31(19(17)3)24-14-13-23(28-29-24)26-15-16-27-25(32)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3,(H,26,28)(H,27,32)
InChIKeyUHGHXPNDRJWMEA-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.10
Rot. Bonds7

About 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide

4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 122323625) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
PubChem CID122323625
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
SMILESCc1nn(-c2ccc(NCCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)c(C)c1C
InChIInChI=1S/C25H26N6O/c1-17-18(2)30-31(19(17)3)24-14-13-23(28-29-24)26-15-16-27-25(32)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3,(H,26,28)(H,27,32)
InChIKeyUHGHXPNDRJWMEA-UHFFFAOYSA-N
XLogP4.10
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 122323629
3-(dimethylamino)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122323826
(E)-3-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122323633
2-nitro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122324014
2-(difluoromethylsulfanyl)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122323845
1,3,5-trimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
CID 122323865
N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1,3-benzothiazole-6-carboxamide
CID 122323775
2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122323796
1-thiophen-2-yl-3-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 122324002
4-propyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiadiazole-5-carboxamide
CID 122323766
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122323835
(E)-3-(4-chlorophenyl)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122323904

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?
The IUPAC name of 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide (CID 122323625) is 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide is Cc1nn(-c2ccc(NCCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)c(C)c1C.
What is the InChIKey of 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?
The InChIKey is UHGHXPNDRJWMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-17-18(2)30-31(19(17)3)24-14-13-23(28-29-24)26-15-16-27-25(32)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3,(H,26,28)(H,27,32).
What are the key properties of 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?
4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 122323625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).