N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide

C27H21N5O2 — CID 122305025

IUPACN-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)nn2)n1
InChIInChI=1S/C27H21N5O2/c1-19-17-18-32(31-19)25-15-16-26(30-29-25)34-24-13-11-23(12-14-24)28-27(33)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-18H,1H3,(H,28,33)
InChIKeyBVIDYPDISNOPQX-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.68
Rot. Bonds6

About N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide

N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide (PubChem CID 122305025) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide
PubChem CID122305025
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC NameN-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)nn2)n1
InChIInChI=1S/C27H21N5O2/c1-19-17-18-32(31-19)25-15-16-26(30-29-25)34-24-13-11-23(12-14-24)28-27(33)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-18H,1H3,(H,28,33)
InChIKeyBVIDYPDISNOPQX-UHFFFAOYSA-N
XLogP5.68
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305014
4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305003
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide
CID 122305024
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122305201
4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122305050
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
CID 122305057
5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
CID 122305218
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588
2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide
CID 122305176
2-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305028
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122306722
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305087

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide (CID 122305025) is N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide is Cc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)nn2)n1.
What is the InChIKey of N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide?
The InChIKey is BVIDYPDISNOPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2/c1-19-17-18-32(31-19)25-15-16-26(30-29-25)34-24-13-11-23(12-14-24)28-27(33)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-18H,1H3,(H,28,33).
What are the key properties of N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide?
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide has a molecular weight of 447.50 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide is sourced from PubChem (CID 122305025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).